data_2kmg_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 2kmg _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 ' 7' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 CA--C 1.518 -0.295 0 CA-C-O 121.314 0.464 . . . . 0.0 112.787 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 t -84.02 130.55 35.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.151 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.483 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 75.6 p -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.29 168.31 19.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -148.59 160.78 42.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.27 117.63 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.018 0.437 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 148.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.69 152.39 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.384 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 11.9 pt-20 -74.83 -29.54 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.11 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.71 -3.73 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.93 -17.0 9.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HB2' ' CD2' ' A' ' 56' ' ' TYR . 17.3 ptm180 -70.69 -20.21 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -25.55 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.624 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 14.4 t70 -113.54 -15.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.397 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.68 -41.46 96.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.598 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -62.76 -54.25 49.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.072 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 56.1 Cg_endo -70.05 -12.84 33.11 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.231 1.954 . . . . 0.0 112.296 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 m -86.87 -33.45 19.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -98.26 -27.07 14.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.467 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.588 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -104.37 -44.34 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.395 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 142.89 140.34 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.162 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -58.42 -18.24 37.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' HE ' ' NE ' ' A' ' 33' ' ' ARG . 7.7 tpt180 -101.27 -35.45 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.247 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 26' ' ' PHE . 87.8 mt -72.38 -28.69 63.17 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.536 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.28 -36.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.2 ptp -97.62 -36.76 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.508 ' NE ' ' HE ' ' A' ' 29' ' ' ARG . 98.9 mtt180 -65.27 -21.51 66.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.521 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -102.42 -41.76 2.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.996 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -57.75 -40.03 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.334 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.31 -23.95 54.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.677 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.813 HD23 ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.71 -35.39 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 34' ' ' GLY . 3.6 m -70.94 -41.47 77.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.45 -26.15 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.593 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.26 96.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.735 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.565 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.9 m95 -76.22 -32.62 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.558 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 6.5 tpt -60.57 -52.43 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.585 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -62.36 -9.17 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.461 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.37 -34.09 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HG13 ' A' ' 78' ' ' VAL . 19.1 mt -67.72 -29.95 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.8 t -124.09 133.88 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.697 0.284 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.78 -25.73 56.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -112.64 49.79 0.91 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.784 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -112.81 94.4 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.296 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.581 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -68.84 -58.78 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.08 -172.99 42.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 68' ' ' PRO . . . -177.58 179.89 0.88 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.97 100.04 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.95 79.29 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.554 ' HA ' HH22 ' A' ' 18' ' ' ARG . 90.5 m-70 -49.55 145.02 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 11.4 m-30 -89.06 128.77 35.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 49.6 m-85 -117.96 141.86 47.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 131.72 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.52 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 124' ' ' LEU . 16.6 mt -110.55 141.8 43.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.056 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.4 m -78.2 -12.73 60.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.855 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.52 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 1.4 p30 -69.19 -21.38 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.1 4.23 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.338 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.29 5.79 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 28.1 p90 -177.27 156.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.62 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -139.15 158.33 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.263 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.449 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 14.7 mtm -118.16 141.46 48.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.62 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.42 126.93 19.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 38.6 Cg_exo -59.41 161.8 16.23 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.463 2.109 . . . . 0.0 111.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 89.42 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.28 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB2' HD11 ' A' ' 74' ' ' LEU . 95.5 mt -142.18 113.81 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.981 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 113.81 25.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -159.68 26.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.608 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -97.22 102.21 13.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' ' 70' ' ' LEU . 85.1 mt -88.62 105.02 17.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.099 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 42.5 tt0 -65.66 88.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 45' ' ' LEU . 5.1 mm -106.14 105.17 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.644 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.08 101.05 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.227 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.69 HG13 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 115.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.754 -179.059 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.35 -30.34 64.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.076 0.465 . . . . 0.0 109.85 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.97 -35.72 8.25 Favored Glycine 0 C--N 1.333 0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.226 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.1 p30 -140.76 12.4 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.982 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 26.17 59.45 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 114.134 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.532 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 44.3 t80 -84.5 103.7 13.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 117.741 0.77 . . . . 0.0 111.185 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -89.67 113.07 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.394 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.11 141.14 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.687 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 44.8 mt-10 -80.29 124.13 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -123.63 169.26 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -86.05 160.22 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.733 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.38 -26.59 42.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.62 -57.79 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.725 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.54 60.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.742 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -95.46 -34.08 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.217 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.46 -20.63 59.15 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.419 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.19 -45.82 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.269 0.557 . . . . 0.0 110.284 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 141' ' ' ILE . 22.7 t -71.91 -27.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.547 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -71.46 -48.09 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.751 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 93' ' ' GLY . 4.3 t -72.85 -39.66 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.403 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.2 mt -56.58 -51.98 66.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.432 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.1 m-85 -57.16 -32.01 65.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.481 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -67.12 -41.7 85.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.97 -43.06 91.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.39 72.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.265 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -85.45 -45.29 11.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.877 0.339 . . . . 0.0 111.271 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.813 ' HG ' HD23 ' A' ' 37' ' ' LEU . 28.3 mt -61.99 -37.59 85.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HB3' HD23 ' A' ' 117' ' ' LEU . . . -63.04 -37.65 88.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.358 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.34 -9.46 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.886 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -179.649 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 117' ' ' LEU . 9.7 mm -62.16 -31.38 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.77 -45.81 70.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.944 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 8.2 mpt_? -57.14 -38.45 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.99 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.63 -52.01 66.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -65.35 -32.67 74.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.435 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 10.2 m-85 -65.68 -52.2 53.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 59' ' ' LEU . 54.4 tp -67.85 -43.98 78.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.29 -35.98 13.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.335 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.7 -31.17 60.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.649 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 35.2 t80 -69.84 -30.81 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 137' ' ' ILE . . . -61.33 -23.53 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.924 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.31 58.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.85 -8.0 87.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 21.1 m-70 -81.25 146.82 59.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.617 0.246 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 25.1 Cg_exo -62.83 -21.85 73.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.677 2.251 . . . . 0.0 111.946 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.3 15.45 28.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.605 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.17 -45.39 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.06 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.77 -47.71 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.798 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -73.58 -38.4 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.402 HG21 ' HB2' ' A' ' 128' ' ' ALA . 92.3 mt -65.17 -52.87 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.58 -36.17 83.35 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 14.4 ptm180 -73.19 -28.17 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 109.963 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.418 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.72 -34.42 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.513 HG21 HG11 ' A' ' 95' ' ' VAL . 47.5 pt -93.77 -13.75 8.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 121.39 0.496 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -67.07 130.33 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.28 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.494 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 81.3 p -145.55 140.34 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.11 177.14 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.008 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.2 t -161.87 160.75 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.66 118.72 30.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.12 153.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -51.85 152.05 3.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -65.43 -31.94 73.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.61 -2.81 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.549 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.9 mm-40 -111.69 -16.97 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 13.8 ptm180 -71.96 -27.36 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 20' ' ' ASP . 3.8 pp -71.39 -27.09 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 18.0 t70 -101.97 -9.42 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.533 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.1 t80 -62.53 -38.72 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.171 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 4.0 mm? -58.68 -58.35 19.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.181 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 35.6 Cg_endo -66.56 -10.41 27.77 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 121.85 1.7 . . . . 0.0 111.234 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 2.7 m -76.15 -39.09 55.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.069 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' HE2' ' HE ' ' A' ' 120' ' ' ARG . 12.3 t80 -122.46 -71.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.665 ' HD2' ' HB3' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -41.72 -38.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.486 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 114.63 145.87 8.96 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 17.8 Cg_endo -59.6 -12.84 18.89 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.408 2.072 . . . . 0.0 111.975 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -99.9 -43.74 6.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.587 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HB3' ' HD2' ' A' ' 26' ' ' PHE . 10.9 mp -68.38 -28.32 67.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.474 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.4 ptm -32.66 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.551 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.4 ptt? -101.39 -36.34 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.705 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 74.5 mtp180 -67.26 -21.36 65.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.302 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -99.95 -45.32 2.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.877 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -58.47 -36.46 73.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.88 0.372 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.41 -30.72 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.687 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.66 -33.22 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.0 m -76.4 -39.45 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.322 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -77.27 -22.49 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.5 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.18 92.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.808 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.543 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 97.4 m95 -84.02 -31.05 25.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.607 ' HE1' ' HA ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -59.47 -25.84 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.324 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -92.26 -17.52 24.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -82.38 -6.34 59.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD22 HG13 ' A' ' 78' ' ' VAL . 16.4 mt -94.23 -25.98 16.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.749 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.0 t -129.92 127.31 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.614 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.695 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.4 pt-20 -68.83 -25.19 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.695 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 62.8 mtm180 -108.12 47.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.749 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.6 t80 -115.04 95.9 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.171 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -72.51 -49.25 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.23 -172.04 35.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.25 177.44 1.53 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.685 0.279 . . . . 0.0 111.185 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.84 95.72 10.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.21 75.94 0.98 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.072 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.587 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.1 m-70 -49.67 141.11 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 24.5 m-85 -85.38 128.78 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 42.6 m-85 -115.19 139.85 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.718 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -108.45 105.65 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.957 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.5 mt -79.65 150.81 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -76.52 -5.44 47.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.94 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -97.84 -34.67 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.75 0.309 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.94 12.1 6.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.374 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.83 -53.01 4.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.224 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.718 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 29.3 m-85 65.34 124.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.955 0.407 . . . . 0.0 110.756 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.609 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 2.7 p90 -135.26 167.92 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.426 ' HG2' ' HD1' ' A' ' 56' ' ' TYR . 75.8 mtp -122.92 141.78 51.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.609 ' HB1' ' HE2' ' A' ' 65' ' ' TYR . . . -135.58 130.63 18.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 31.2 Cg_endo -64.71 161.84 34.13 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 23.1 t70 -103.73 84.39 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.803 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 63.0 mt -137.46 109.86 7.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 111.53 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.511 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.29 -173.44 22.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.632 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.89 116.36 29.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.262 0.553 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 70' ' ' LEU . 3.0 mp -118.92 127.45 53.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 71.9 mm-40 -68.26 107.53 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 46' ' ' CYS . 2.1 mm -114.78 106.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.025 0.44 . . . . 0.0 111.025 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 8.3 pt-20 -94.29 96.54 9.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.635 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG13 HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -71.91 104.53 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.663 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -62.29 -32.39 73.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.34 -35.73 2.8 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.984 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p30 -141.08 13.61 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.92 0.39 . . . . 0.0 110.728 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.15 29.11 59.37 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.873 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.553 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 72.0 t80 -89.87 101.11 13.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 117.649 0.724 . . . . 0.0 111.074 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -85.5 115.03 22.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.55 145.56 9.14 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.706 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.513 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 9.0 pt-20 -79.13 127.47 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 91' ' ' ALA . 17.4 tp -138.51 150.9 46.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 t -71.21 158.24 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . . . -61.27 -18.34 57.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.88 -58.16 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . . . -69.93 -15.2 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.364 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.08 13.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.367 . . . . 0.0 110.221 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.457 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.97 -17.34 43.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.183 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mm -73.42 -34.42 42.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 141' ' ' ILE . 76.4 t -82.68 -26.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.46 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -71.27 -48.67 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 111.64 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -71.73 -42.16 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.7 -47.81 79.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.488 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 3.4 m-85 -59.36 -31.72 69.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.687 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.56 -41.14 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.9 mt -57.98 -41.82 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.23 89.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.379 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.6 ' NE2' HD12 ' A' ' 37' ' ' LEU . 24.1 tt0 -77.16 -48.17 18.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.876 0.338 . . . . 0.0 111.298 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.34 -33.22 67.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.731 ' HB1' HD23 ' A' ' 117' ' ' LEU . . . -75.07 -30.35 60.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.32 -13.84 34.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.58 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.898 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.731 HD23 ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.644 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.0 mm -65.47 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -41.22 64.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.831 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -61.15 -38.3 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.94 -48.66 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.755 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -61.46 -28.26 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -73.04 -53.5 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 65' ' ' TYR . 47.8 tp -63.92 -44.59 92.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.058 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -47.08 -37.99 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.05 -32.55 73.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.98 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 68.8 t80 -73.55 -27.21 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.667 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' HB2' HG22 ' A' ' 137' ' ' ILE . . . -63.31 -27.22 69.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.53 -22.93 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.43 67.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -68.45 151.68 97.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.41 -12.31 35.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.473 2.116 . . . . 0.0 111.703 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -121.96 25.23 9.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.543 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -45.57 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.805 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.53 82.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.09 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 111.733 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' A' ' 128' ' ' ALA . 95.9 mt -66.91 -53.03 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.2 -34.83 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.351 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.16 -31.97 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.053 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.49 -35.7 81.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.596 HG22 HG13 ' A' ' 95' ' ' VAL . 45.3 pt -94.25 -12.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.99 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.059 -179.772 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 CA--C 1.518 -0.315 0 CA-C-O 121.297 0.457 . . . . 0.0 113.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG11 ' HB3' ' A' ' 60' ' ' SER . 48.4 t -63.9 135.16 28.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.423 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -148.94 144.26 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -85.85 178.42 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.0 t -157.23 166.94 31.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.53 HD11 ' NH2' ' A' ' 18' ' ' ARG . 15.3 tp -94.68 133.0 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -99.44 146.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 147.7 52.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 12.7 pt-20 -61.42 -31.01 70.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.457 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -114.82 -10.5 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' NH2' HD11 ' A' ' 12' ' ' LEU . 31.6 mtt180 -68.23 -31.07 70.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.5 pp -64.44 -23.3 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.274 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.627 ' N ' HD12 ' A' ' 19' ' ' LEU . 22.9 t70 -114.22 -14.52 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -64.77 -39.2 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.698 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -61.41 -54.7 50.19 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HD2' ' C ' ' A' ' 20' ' ' ASP . 55.0 Cg_endo -70.59 -13.91 32.98 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.205 1.937 . . . . 0.0 112.228 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.0 m -81.13 -39.0 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.766 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -101.04 -25.56 14.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.434 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -103.26 -36.69 7.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 124.01 147.14 7.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.153 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.31 -17.98 49.98 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.449 2.099 . . . . 0.0 112.009 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.577 ' HE ' ' HE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -96.72 -43.37 7.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.462 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' MET . 10.2 mp -70.49 -26.94 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.567 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -30.61 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 26.1 ptm -100.15 -34.41 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.595 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HE ' ' HE ' ' A' ' 29' ' ' ARG . 39.0 mmt180 -63.45 -31.54 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.288 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -95.75 -40.81 4.02 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 13.0 tp10 -53.08 -41.79 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 110.097 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -82.36 -22.76 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.605 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.42 -39.71 77.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.33 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 39' ' ' TYR . 2.5 m -71.72 -40.25 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.28 -22.11 58.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.428 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.94 -44.4 92.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.276 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -73.63 -33.49 64.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.549 ' SD ' ' HB1' ' A' ' 96' ' ' ALA . 7.6 tpt -62.42 -45.44 93.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.514 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -68.12 -12.11 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.987 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.9 mtt180 -87.32 -19.0 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.447 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' HB3' HG21 ' A' ' 76' ' ' ILE . 7.7 mt -84.86 -25.21 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.543 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.876 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.1 t -119.57 155.53 32.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.487 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.38 -20.1 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -114.89 14.67 17.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.876 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -69.44 90.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.03 0.443 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -81.64 -21.06 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.174 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.7 173.84 20.51 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.06 168.19 12.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.833 0.349 . . . . 0.0 111.386 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -86.93 90.71 8.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -71.61 78.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.491 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.445 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 91.8 m-70 -54.26 146.78 14.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.426 ' CZ ' HD21 ' A' ' 22' ' ' LEU . 6.3 m-30 -92.05 135.1 34.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.022 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.3 m-85 -122.35 142.83 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.661 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.43 108.79 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 9.6 mt -86.15 154.14 21.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.59 ' HB3' HG11 ' A' ' 8' ' ' VAL . 41.2 t -62.98 -30.77 71.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.362 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' OD2' HG21 ' A' ' 8' ' ' VAL . 75.2 m-20 -84.17 -0.91 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.9 8.76 87.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.251 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -60.92 -46.65 94.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.351 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.8 t80 62.49 118.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.033 0.444 . . . . 0.0 111.432 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.529 ' HB2' HG23 ' A' ' 97' ' ' THR . 3.2 p90 -133.5 153.89 51.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.427 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 35' ' ' GLU . 34.8 mtm -114.86 142.18 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.12 139.4 31.74 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.477 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HG3' ' HE2' ' A' ' 42' ' ' MET . 42.6 Cg_endo -67.42 162.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.51 2.14 . . . . 0.0 111.77 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.599 ' C ' HD21 ' A' ' 70' ' ' LEU . 24.8 t70 -104.14 86.68 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.599 HD21 ' C ' ' A' ' 69' ' ' ASP . 2.9 mm? -139.81 105.07 5.03 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.314 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 115.51 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.11 -152.74 21.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -115.03 118.31 33.05 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 110.733 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -126.04 125.12 42.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 10.0 pt-20 -63.14 112.26 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.217 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -125.56 105.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.5 pt-20 -79.84 124.54 28.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.854 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 80' ' ' GLY . 45.5 t -90.97 90.15 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.258 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.487 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.1 OUTLIER -74.71 19.16 0.14 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.657 0.265 . . . . 0.0 111.362 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -94.01 -20.04 31.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.265 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -155.69 11.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.501 -0.349 . . . . 0.0 110.715 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.25 17.99 79.73 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.093 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 50.1 t80 -86.76 93.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.25 111.4 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.638 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.43 138.0 5.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.549 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 34.8 mt-10 -70.53 137.03 49.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.1 148.17 29.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.906 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.8 m -63.28 -170.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -88.44 -18.29 28.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.247 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -83.57 -58.68 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.731 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -65.28 -18.51 65.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.665 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB3' ' HE3' ' A' ' 42' ' ' MET . . . -93.2 -38.12 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 97' ' ' THR . . . -56.91 -20.42 33.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.418 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.46 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.149 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG13 HG22 ' A' ' 141' ' ' ILE . 39.0 t -75.2 -29.42 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -69.34 -46.53 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.546 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -73.36 -42.94 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.424 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' HG ' HD22 ' A' ' 124' ' ' LEU . 37.1 mt -55.43 -50.35 70.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.011 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.1 m-85 -57.65 -31.25 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.945 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -70.05 -40.3 75.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.002 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.71 -42.78 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.205 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.43 76.36 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.614 . . . . 0.0 113.592 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.49 ' CD ' HD11 ' A' ' 37' ' ' LEU . 9.0 tt0 -79.49 -47.73 15.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.985 0.392 . . . . 0.0 111.45 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD11 ' HA2' ' A' ' 34' ' ' GLY . 85.1 mt -56.93 -23.63 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.064 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.656 ' HB3' HD11 ' A' ' 117' ' ' LEU . . . -81.98 -35.24 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 -9.5 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' ' 105' ' ' ALA . 3.2 pp . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.018 0.437 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.4 mm -49.92 -29.35 5.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.7 -41.85 56.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.899 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.459 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -59.24 -38.62 80.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.461 ' HH ' HD13 ' A' ' 141' ' ' ILE . 27.2 t80 -57.17 -55.96 27.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -57.63 -37.6 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -59.77 -56.38 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.514 HD22 ' HG ' ' A' ' 98' ' ' LEU . 61.4 tp -62.28 -46.19 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.219 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -44.09 -37.82 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.377 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.28 -34.58 75.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.997 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -67.41 -28.57 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.987 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.72 -31.14 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.93 -27.1 67.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.39 -12.18 84.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.076 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 55.9 m-70 -85.98 149.04 49.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.496 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 21.7 Cg_exo -64.88 -33.51 52.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.68 2.253 . . . . 0.0 112.083 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.496 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.2 mp0 -89.65 15.8 8.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.15 -44.42 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.186 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.28 71.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.78 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.575 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -64.82 -53.04 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -64.59 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.4 -33.07 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.319 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.433 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.07 -34.84 78.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.704 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.519 HG22 HG13 ' A' ' 95' ' ' VAL . 47.0 pt -92.51 -14.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.027 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 113.026 0.356 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -121.6 136.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.505 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.452 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 77.5 p -146.87 142.35 27.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' ' HG ' ' A' ' 59' ' ' LEU . . . -87.68 -179.56 6.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 111.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 41.2 t -157.81 165.62 34.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.718 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.74 119.8 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 14' ' ' ALA . 23.8 t -78.82 155.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -55.99 155.32 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.78 -25.93 62.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.367 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.02 -1.63 51.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.747 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm-40 -121.38 -14.87 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.658 0.266 . . . . 0.0 111.487 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.529 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 16.7 ptm180 -71.05 -21.13 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.82 -17.61 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.998 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.1 t70 -115.73 -9.57 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 7.7 t80 -72.99 -42.66 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -59.95 -51.37 81.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.738 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.543 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 57.6 Cg_endo -71.01 -16.39 32.32 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.237 1.958 . . . . 0.0 111.937 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.404 HG22 ' CD1' ' A' ' 25' ' ' TYR . 1.8 m -80.27 -32.21 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.235 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 23.7 m-85 -105.51 -20.61 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -108.78 -39.28 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.486 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.51 140.21 4.08 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.756 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 24.0 Cg_endo -61.03 -16.41 45.42 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -99.51 -34.73 10.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 8.5 mp -75.63 -28.86 58.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.543 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -31.67 -38.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.6 -31.39 10.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.392 . . . . 0.0 110.672 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 32' ' ' MET . 30.8 mmm180 -72.78 -13.59 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -108.87 -44.48 1.11 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.361 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -34.57 71.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 110.02 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.31 -21.7 45.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.15 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.664 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -78.47 -38.16 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 34' ' ' GLY . 5.1 m -68.97 -39.05 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.108 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -79.18 -19.58 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -66.27 -36.56 83.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.7 m95 -81.16 -33.01 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.717 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.917 ' HE1' ' HB3' ' A' ' 96' ' ' ALA . 42.7 tpp -65.07 -45.97 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' ' CE2' ' A' ' 39' ' ' TYR . 8.6 ptm180 -65.49 -17.77 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.402 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 70.2 mtp180 -82.27 -50.45 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.712 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' A' ' 76' ' ' ILE . 33.3 mt -47.62 -25.16 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.815 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.787 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 40.5 t -121.9 146.25 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.18 -28.17 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -117.93 54.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.345 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.787 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -109.81 91.55 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.575 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -65.76 -41.51 92.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.06 -169.78 28.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.388 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -177.05 178.81 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.05 96.46 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.06 75.38 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.171 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -45.67 131.18 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.144 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.529 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 27.2 m-85 -83.67 86.42 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 60.8 m-85 -73.66 148.71 42.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.448 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 113.38 23.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' ' HB1' ' A' ' 10' ' ' ALA . 7.2 mt -86.85 151.08 23.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.0 p -73.57 -18.47 61.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -87.88 -9.86 52.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.754 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.63 7.24 63.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' ' 123' ' ' PHE . . . -102.03 42.51 1.89 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.641 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 10.9 p90 -34.88 143.66 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.551 0.341 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.539 ' HB2' HG22 ' A' ' 97' ' ' THR . 4.5 p90 -134.03 165.13 25.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.224 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.52 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 71.4 mtp -115.4 134.01 55.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.1 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . . . -132.41 128.96 21.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 46.3 Cg_endo -68.06 162.0 41.9 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -103.76 83.89 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.682 HD22 HD22 ' A' ' 74' ' ' LEU . 1.1 mp -134.9 116.94 15.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.08 107.24 18.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.43 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' A' ' 74' ' ' LEU . . . 144.53 165.5 11.07 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.752 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -61.2 94.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HD22 ' A' ' 70' ' ' LEU . 28.7 mt -87.07 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.159 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 43.2 mt-10 -65.38 90.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 45' ' ' LEU . 3.5 mm -113.44 106.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.605 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -94.79 139.13 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.682 178.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.568 ' CG2' ' HB3' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -107.31 106.64 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.624 -179.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.94 -32.29 73.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 109.87 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.69 -33.17 4.62 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.281 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' ' 140' ' ' ALA . 9.0 p30 -143.43 14.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.88 29.67 59.12 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 79.6 t80 -90.19 105.76 18.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.176 0.988 . . . . 0.0 111.202 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -89.27 115.05 26.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.008 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.72 143.06 7.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.027 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.9 mp0 -80.35 135.4 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.372 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 11.4 tp -141.05 170.05 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.881 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -84.75 161.75 19.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.01 -25.03 66.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.02 -55.67 4.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.605 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.84 -6.72 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.734 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB3' ' HE2' ' A' ' 42' ' ' MET . . . -103.32 -38.57 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.462 ' O ' HG21 ' A' ' 97' ' ' THR . . . -55.22 -29.99 53.82 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.913 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.622 HD12 HD13 ' A' ' 137' ' ' ILE . 4.3 mt -61.59 -49.27 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.232 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.655 HG12 HG21 ' A' ' 141' ' ' ILE . 59.7 t -66.52 -22.14 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.917 ' HB3' ' HE1' ' A' ' 42' ' ' MET . . . -75.35 -47.25 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.327 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 65' ' ' TYR . 2.7 t -74.6 -42.54 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HA ' HD11 ' A' ' 101' ' ' LEU . 50.8 mt -51.97 -53.41 41.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.447 ' HD1' ' O ' ' A' ' 95' ' ' VAL . 12.2 m-85 -57.54 -34.09 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.664 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.69 -36.66 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 98' ' ' LEU . 90.5 mt -58.09 -42.58 85.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.914 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.29 -34.02 61.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.028 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.07 -50.17 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.524 HD22 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.02 -40.87 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.799 ' HB2' HD23 ' A' ' 117' ' ' LEU . . . -63.08 -36.52 83.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.82 -12.37 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.799 HD23 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.977 0.417 . . . . 0.0 110.529 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.7 mm -61.18 -34.84 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.318 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -53.12 -42.95 66.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -54.16 -38.33 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.096 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.28 -54.56 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -58.52 -34.11 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.635 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 23.1 m-30 -67.87 -54.36 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.329 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.1 tp -63.36 -45.64 90.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -46.71 -39.19 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.37 -29.68 63.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.951 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.452 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 62.9 t80 -72.53 -34.49 67.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.457 ' HB3' HG21 ' A' ' 137' ' ' ILE . . . -64.63 -15.09 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.07 -25.11 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.22 -6.45 87.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.87 145.35 57.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.605 0.241 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.94 -23.8 67.84 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.482 2.121 . . . . 0.0 112.118 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -100.35 15.32 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.14 -45.07 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.02 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.572 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.8 70.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.328 . . . . 0.0 111.698 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.622 HD13 HD12 ' A' ' 94' ' ' ILE . 89.6 mt -64.68 -52.92 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -65.61 -36.28 83.28 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -71.45 -32.83 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 78' ' ' VAL . . . -65.99 -33.29 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.794 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.655 HG21 HG12 ' A' ' 95' ' ' VAL . 49.0 pt -92.06 -16.83 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.944 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 CA-C-O 121.225 0.427 . . . . 0.0 112.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' OD2' ' A' ' 61' ' ' ASP . 23.6 t -128.92 138.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.637 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 64.6 p -145.38 138.23 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.44 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -83.91 -176.28 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.3 t -157.82 149.57 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.7 tp -88.84 118.82 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.54 151.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.88 162.79 1.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -82.92 -28.9 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.72 -1.29 57.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.646 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -122.52 -18.74 6.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 6.3 ptm180 -69.91 -21.29 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.324 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.71 -23.1 63.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 17.1 t70 -114.2 -6.07 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 0.0 110.12 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.91 -41.72 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.737 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 31' ' ' MET . 4.5 mt -62.58 -54.63 46.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.457 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 45.7 Cg_endo -68.46 -13.34 37.26 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.087 1.858 . . . . 0.0 112.561 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -91.26 -41.39 10.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 89.0 m-85 -109.3 -33.27 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.2 t80 -89.87 -38.36 13.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.592 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.536 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.34 135.49 3.37 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.045 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 16.6 Cg_endo -57.29 -21.51 44.41 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.417 2.078 . . . . 0.0 112.092 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 tmt_? -95.5 -41.36 9.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.125 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 7.8 mp -65.81 -37.3 85.88 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.55 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.54 -42.54 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.668 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 19.4 ptp -99.48 -36.19 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 27.3 mmm180 -67.32 -15.49 63.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.177 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.641 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -107.14 -42.81 1.46 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.501 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.668 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.6 pt-20 -58.68 -40.15 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.87 53.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.688 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -75.44 -34.27 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG11 ' O ' ' A' ' 34' ' ' GLY . 5.5 m -70.95 -39.5 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -21.04 53.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.442 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -64.64 -37.38 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.81 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -83.23 -30.74 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.552 ' HE3' ' HG2' ' A' ' 68' ' ' PRO . 9.6 tpt -59.53 -37.92 79.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -79.03 -4.77 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.233 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.4 mtt180 -94.18 -14.85 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 76' ' ' ILE . 9.8 mt -89.39 -25.41 21.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.3 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.854 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.9 t -121.21 150.5 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 11.0 pt-20 -91.18 -20.41 22.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.334 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.566 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 98.9 mtt180 -110.43 8.14 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.346 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.854 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -66.1 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 111.047 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -76.42 -57.75 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.743 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.28 160.11 33.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -153.22 152.73 31.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 92.97 4.8 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.505 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 2.4 m0 -66.55 152.49 45.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.449 0.643 . . . . 0.0 111.495 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.582 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 94.4 m-70 -134.15 136.98 44.18 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.663 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.1 m-30 -88.36 135.27 33.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' A' ' 11' ' ' SER . 43.3 m-85 -122.0 144.37 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.652 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.675 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.19 99.57 8.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.808 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 14.6 mt -75.23 144.59 42.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 t -73.74 -11.67 60.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 2.1 p30 -81.57 -20.37 40.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.89 34.63 6.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.4 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -113.93 -41.76 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.693 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.675 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 24.7 m-85 64.38 123.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.638 ' HE2' ' HB3' ' A' ' 67' ' ' ALA . 3.5 p90 -133.09 165.59 24.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.088 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.583 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 69.2 mtp -120.93 140.67 51.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.638 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -139.89 125.27 11.58 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.36 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HG2' ' HE3' ' A' ' 42' ' ' MET . 35.3 Cg_exo -60.73 169.44 5.63 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 111.703 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 17.2 t70 -111.91 90.81 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.602 HD22 ' HB1' ' A' ' 89' ' ' ALA . 2.8 mm? -134.56 109.44 8.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.148 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.58 110.62 22.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.303 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.72 -155.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.702 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -111.62 114.03 26.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 70' ' ' LEU . 2.8 mp -113.05 126.62 55.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 45.6 mm-40 -66.91 104.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 45' ' ' LEU . 2.2 mm -115.77 105.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.234 0.54 . . . . 0.0 111.672 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' LEU . 9.9 pt-20 -84.82 102.41 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.833 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.3 t -77.12 94.41 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.302 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.32 -35.88 80.33 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.44 -25.6 0.1 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.13 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.576 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.1 p30 -151.85 11.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.27 . . . . 0.0 110.925 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.18 17.95 68.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.287 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.576 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 48.9 t80 -78.48 91.49 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.048 0.424 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -78.7 103.7 8.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.84 130.4 2.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.494 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 11.1 pt-20 -69.57 132.27 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.7 tp -144.92 157.65 44.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 111.162 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.2 p -78.61 173.31 12.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -79.49 -5.17 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.355 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' HD11 ' A' ' 94' ' ' ILE . 11.6 t70 -93.27 -24.63 18.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 110.555 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.86 -11.99 15.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.098 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.74 -36.11 9.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.93 -21.39 52.17 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.221 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.401 HD11 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -68.34 -34.7 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.199 0.523 . . . . 0.0 110.015 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.567 HG11 HG23 ' A' ' 141' ' ' ILE . 53.4 t -78.97 -33.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -64.67 -45.82 85.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.52 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.522 HG23 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -71.91 -43.8 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.446 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 141' ' ' ILE . 28.0 mt -53.03 -53.13 54.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.38 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 11.2 m-85 -57.61 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.17 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -63.78 -44.74 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.65 -41.52 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.26 -28.42 73.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.873 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.02 -47.86 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -59.05 -44.81 91.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.783 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -60.22 -34.96 74.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.45 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.721 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.994 0.426 . . . . 0.0 110.123 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.589 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.9 mm -66.45 -30.93 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -37.81 59.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.462 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 6.7 mpt_? -64.27 -37.13 86.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.5 -39.12 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -24.04 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.941 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.566 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 20.9 m-85 -92.54 -50.33 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 65' ' ' TYR . 3.0 tt -50.57 -55.51 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -47.14 -41.5 17.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.779 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.37 -31.26 78.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.637 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 79.2 t80 -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 137' ' ' ILE . . . -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.463 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.43 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . . . -71.72 -24.74 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.224 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.88 -9.15 83.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -74.5 147.79 85.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 26.0 Cg_exo -62.78 -14.66 41.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.698 2.266 . . . . 0.0 112.022 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 4.3 mp0 -116.21 20.12 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.392 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -42.44 -47.15 4.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.202 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -51.96 -47.84 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.545 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.4 78.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.651 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.476 HG22 ' HB1' ' A' ' 128' ' ' ALA . 94.3 mt -65.92 -52.54 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.71 -36.9 85.37 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.502 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 18.3 ptp180 -73.93 -28.8 61.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 109.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.458 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -66.61 -36.24 82.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.651 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.567 HG23 HG11 ' A' ' 95' ' ' VAL . 48.9 pt -92.3 -13.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.983 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 121.381 0.492 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.457 HG12 HD21 ' A' ' 59' ' ' LEU . 3.2 t -76.22 125.16 35.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.134 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -138.39 138.99 38.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 57' ' ' TYR . . . -82.87 176.81 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -158.43 160.72 37.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 tp -93.62 120.59 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 14' ' ' ALA . 10.7 t -82.39 158.39 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -55.63 151.29 11.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.561 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.5 pt-20 -72.07 -22.06 61.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.247 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.58 6.36 37.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.561 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.53 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 23.0 mm-40 -125.82 -18.49 5.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 32.8 ptt180 -72.05 -21.75 61.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.269 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.73 -17.64 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.749 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 4.9 t70 -115.89 -9.35 11.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.898 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 21.6 t80 -80.49 -34.97 35.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.941 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.12 -50.85 66.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.291 179.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 59.1 Cg_endo -72.12 -15.49 28.86 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 0.0 111.928 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -84.11 -33.61 24.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.602 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 m-85 -100.37 -27.67 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.296 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.593 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -100.74 -45.48 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.042 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 143.17 140.49 3.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.449 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.58 -19.04 50.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.461 2.107 . . . . 0.0 112.17 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.552 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.778 HD22 HD23 ' A' ' 104' ' ' LEU . 95.4 mt -68.59 -35.37 77.27 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.563 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -30.1 -40.35 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.637 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.1 ptt? -101.38 -31.6 10.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 23.4 mmm180 -74.34 -11.75 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' HA3' ' HE2' ' A' ' 26' ' ' PHE . . . -109.78 -43.81 1.09 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.105 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.637 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.2 pt-20 -57.59 -36.25 71.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 109.779 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' O ' ' HB1' ' A' ' 40' ' ' ALA . . . -79.12 -17.09 55.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.782 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 1.6 mt -82.31 -41.85 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.922 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.95 -38.88 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -24.8 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 36' ' ' ALA . . . -62.72 -36.58 83.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -79.99 -33.87 39.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.697 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 10.7 tpt -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.65 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -64.38 -23.43 67.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.698 0.285 . . . . 0.0 111.256 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -78.02 -47.52 18.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 78' ' ' VAL . 71.6 mt -48.03 -26.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.735 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.9 t -132.41 123.74 27.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 13.1 pt-20 -65.64 -25.02 67.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.543 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 29.7 mmm180 -107.28 46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.956 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.735 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -114.73 96.2 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.966 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -71.82 -48.98 42.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . . . -178.01 -179.69 0.77 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 21.8 m-85 -91.65 96.31 10.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.478 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -78.37 77.27 4.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.249 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' MET . 92.6 m-70 -44.05 138.52 2.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.234 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.518 ' HE1' ' HE1' ' A' ' 66' ' ' MET . 7.0 m-85 -90.79 81.72 5.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.959 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 56.3 m-85 -68.48 149.7 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.55 119.15 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 63' ' ' GLY . 10.1 mt -91.57 151.66 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -67.48 -25.25 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.851 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 7.96 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.666 0.27 . . . . 0.0 111.335 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.51 2.24 87.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.705 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.553 ' O ' HD11 ' A' ' 59' ' ' LEU . . . -86.74 30.72 4.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.051 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 29.9 p90 -37.22 144.62 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.888 0.375 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.578 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 9.1 p90 -135.37 178.13 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.518 ' HE1' ' HE1' ' A' ' 56' ' ' TYR . 64.7 mtp -127.31 136.52 52.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.654 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.36 124.42 18.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.358 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 31.8 Cg_exo -58.8 158.59 23.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.577 2.185 . . . . 0.0 111.967 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.8 t70 -104.37 84.22 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 81.7 mt -134.01 105.44 6.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.06 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.43 -149.54 20.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.703 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -128.48 137.22 51.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.096 0.474 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -129.24 153.32 47.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.979 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -91.02 102.53 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.122 0.487 . . . . 0.0 111.018 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -109.92 110.93 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.187 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.714 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 35.8 mt-10 -85.57 125.63 33.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.8 t -99.82 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.96 -37.9 64.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.548 0.213 . . . . 0.0 111.309 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -44.55 -21.52 0.29 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.989 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -144.76 6.94 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.895 0.379 . . . . 0.0 110.788 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.1 13.42 59.81 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.198 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -82.85 94.84 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 111.472 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.714 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 57.8 ttp180 -82.26 110.87 17.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.4 133.83 3.61 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 119.654 -1.26 . . . . 0.0 113.801 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 31.0 mt-10 -74.33 138.2 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.8 tp -157.73 153.16 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -70.11 153.95 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.752 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.46 -12.28 5.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.484 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.15 -58.87 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -75.18 -10.71 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -94.65 -37.37 11.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.146 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.488 ' O ' HG21 ' A' ' 97' ' ' THR . . . -58.09 -20.34 42.0 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.08 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.18 -39.47 84.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 109.864 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.71 HG11 HG21 ' A' ' 141' ' ' ILE . 51.2 t -78.95 -28.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.194 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.507 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.63 -47.24 70.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.68 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -72.73 -42.39 64.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.345 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.478 HD22 HD13 ' A' ' 101' ' ' LEU . 27.9 mt -54.93 -50.66 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.01 -27.18 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -73.4 -36.47 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 98' ' ' LEU . 72.7 mt -63.95 -45.21 90.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.257 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.05 90.9 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.511 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 10.5 tt0 -80.45 -45.73 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.909 0.354 . . . . 0.0 111.343 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.778 HD23 HD22 ' A' ' 30' ' ' LEU . 27.4 tp -61.49 -33.77 74.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.738 ' HB3' HD22 ' A' ' 117' ' ' LEU . . . -71.27 -34.41 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 103' ' ' GLN . 43.9 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.022 0.439 . . . . 0.0 109.905 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.628 ' N ' HD12 ' A' ' 117' ' ' LEU . 7.6 mm -62.02 -33.08 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -47.56 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.515 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.1 mpt_? -53.9 -37.22 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.985 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.54 -57.33 11.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -56.64 -45.2 81.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.28 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.58 -56.91 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.19 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 65' ' ' TYR . 37.5 tp -55.34 -54.86 38.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.145 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -44.05 -41.46 5.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.21 -36.45 93.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.863 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.38 -28.18 64.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.37 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.89 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.98 -24.63 58.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.88 -11.84 83.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -78.51 146.35 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.561 0.22 . . . . 0.0 110.978 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.71 -21.72 69.79 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 111.728 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -103.56 17.24 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.482 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.72 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.17 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -51.93 -47.1 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.405 ' HA ' ' CD ' ' A' ' 139' ' ' ARG . . . -70.66 -37.18 73.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -66.6 -51.98 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -66.54 -36.1 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.488 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.405 ' CD ' ' HA ' ' A' ' 136' ' ' ALA . 13.2 ptm180 -72.59 -32.5 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 110.068 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.447 ' O ' HG11 ' A' ' 78' ' ' VAL . . . -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.827 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.71 HG21 HG11 ' A' ' 95' ' ' VAL . 47.5 pt -94.5 -13.82 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.793 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.954 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.593 ' O ' HG21 ' A' ' 9' ' ' THR . 40.6 Cg_exo . . . . . 0 N--CA 1.472 0.224 0 CA-C-O 120.906 0.294 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 7' ' ' PRO . 95.4 t -24.68 134.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.016 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 7' ' ' PRO . 27.6 p -142.34 146.92 35.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.851 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 178.04 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -161.42 161.45 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.4 119.78 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -77.54 155.81 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -54.81 165.2 0.65 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.1 -27.03 30.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.358 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.6 -3.8 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.545 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -116.28 -18.58 10.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.743 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 9.9 ptm180 -65.02 -25.79 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.469 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -77.74 -15.91 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 111.436 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.56 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.1 t70 -111.29 -14.12 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -70.51 -43.13 70.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -56.09 -53.01 68.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.681 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.532 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 55.4 Cg_endo -70.16 -15.68 35.67 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.363 2.042 . . . . 0.0 112.161 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -81.99 -32.36 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.869 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -106.73 -20.12 13.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.57 -35.7 6.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 132.8 138.24 4.05 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.476 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.9 Cg_endo -57.45 -15.94 21.52 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.683 2.255 . . . . 0.0 112.244 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -102.0 -34.36 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.467 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 30' ' ' LEU . 8.4 mp -76.27 -26.24 55.73 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.55 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 ptm -34.01 -35.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.676 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 22.6 ptp -100.92 -34.71 9.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.44 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -67.61 -17.4 64.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.971 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -106.12 -42.94 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.834 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.676 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.7 pt-20 -57.42 -37.97 73.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.61 -24.3 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.503 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -76.26 -36.49 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 ' HA ' ' HB3' ' A' ' 100' ' ' ALA . 4.8 m -70.24 -38.25 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.833 0.349 . . . . 0.0 111.178 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -24.26 48.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.58 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.593 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 90.2 m95 -78.67 -34.08 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.678 ' HE1' ' HA ' ' A' ' 42' ' ' MET . 1.8 tpt -61.73 -41.78 98.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.851 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -9.41 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.77 -179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -93.29 -43.89 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.212 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 50.8 mt -52.46 -24.89 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.813 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 37.7 t -119.32 139.87 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.229 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.789 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 9.8 pt-20 -77.6 -28.83 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.738 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.789 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 76.3 mtp180 -115.77 54.83 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.81 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -114.71 97.64 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.977 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -73.34 -47.66 40.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.51 -169.85 33.41 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.729 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -179.76 -177.1 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 29.1 m-85 -91.41 99.55 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.93 0.395 . . . . 0.0 111.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.454 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.59 77.28 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.034 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.616 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 82.8 m-70 -49.5 142.23 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.401 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.743 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 25.6 m-85 -85.86 127.64 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 47.6 m-85 -116.44 142.64 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.684 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 118.13 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.631 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.2 mt -91.43 148.31 22.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -75.8 -15.81 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.909 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' HB2' HG12 ' A' ' 8' ' ' VAL . 8.7 t70 -73.52 -21.6 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.67 -3.61 13.38 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.828 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.01 -147.53 19.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.116 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 35.4 p90 -179.58 148.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.744 0.307 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.537 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.4 p90 -136.77 160.18 39.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.5 mtp -116.26 136.66 52.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB1' ' HE2' ' A' ' 65' ' ' TYR . . . -130.62 119.1 18.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.026 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.57 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 44.6 Cg_exo -55.48 160.17 9.52 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.329 2.019 . . . . 0.0 111.663 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.478 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 19.4 t70 -101.89 88.71 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 111.281 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 91.3 mt -142.42 111.19 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.77 113.05 25.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.266 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.87 -161.9 28.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.666 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.594 ' HD3' ' OE1' ' A' ' 86' ' ' GLU . 59.6 mtt180 -101.08 108.75 20.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 70' ' ' LEU . 65.3 mt -101.78 114.57 28.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.476 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.53 ' OE1' ' HB3' ' A' ' 86' ' ' GLU . 5.2 mm-40 -72.68 86.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 46' ' ' CYS . 3.6 mm -97.85 107.47 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 0.0 111.21 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.714 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 41.2 mt-10 -92.16 102.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.552 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.613 HG13 ' HB3' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -72.47 104.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.608 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.3 23.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.901 0.382 . . . . 0.0 110.58 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -104.11 -30.89 4.92 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.552 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.44 HD22 ' HA ' ' A' ' 140' ' ' ALA . 5.2 p30 -137.57 6.91 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 110.081 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.92 24.04 72.88 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 114.236 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 48.5 t80 -85.98 92.46 8.69 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.932 0.866 . . . . 0.0 111.265 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.714 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.8 ttt180 -79.64 113.21 17.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.989 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 168.27 38.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.627 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.594 ' OE1' ' HD3' ' A' ' 73' ' ' ARG . 9.6 pt-20 -106.89 126.31 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 86' ' ' GLU . 4.0 mm? -126.94 171.31 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.2 m -86.97 165.49 15.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.843 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.99 -28.33 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' HG12 ' A' ' 94' ' ' ILE . 12.9 t70 -79.88 -56.41 4.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.53 -18.04 49.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.473 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 -33.29 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.063 0.459 . . . . 0.0 110.14 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 97' ' ' THR . . . -63.08 -23.37 65.94 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.632 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -67.28 -48.02 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 0.0 110.139 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.94 -22.57 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.352 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.466 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -75.47 -47.91 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.558 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.537 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -75.01 -42.46 57.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.436 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 141' ' ' ILE . 46.5 mt -54.09 -53.06 58.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.68 0.276 . . . . 0.0 111.29 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 6.8 m-85 -56.29 -35.69 67.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -64.06 -38.54 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.568 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.98 -42.38 94.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.029 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.3 -32.22 68.6 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.252 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.559 ' CD ' HD13 ' A' ' 37' ' ' LEU . 49.8 tt0 -73.95 -48.6 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.837 0.318 . . . . 0.0 111.373 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.6 -40.57 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -65.68 -33.23 75.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.06 42.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.067 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.345 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 105' ' ' ALA . 1.8 pp . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.108 0.48 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.1 mm -48.74 -28.7 2.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.669 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -47.49 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.219 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -54.21 -37.9 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.87 -60.34 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.41 -36.9 69.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -59.51 -57.63 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.195 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -45.6 -37.46 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.16 66.24 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.499 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 9' ' ' THR . 57.5 t80 -70.24 -45.57 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.353 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' A' ' 137' ' ' ILE . . . -68.79 -10.05 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.521 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.09 -19.78 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.523 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -111.6 13.79 27.49 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.124 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.435 ' HD1' ' HD2' ' A' ' 132' ' ' PRO . 2.6 m-70 -79.65 159.69 71.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.629 0.214 . . . . 0.0 110.68 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.481 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 19.7 Cg_endo -59.47 -26.71 82.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.58 2.187 . . . . 0.0 111.92 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.5 mp0 -113.08 19.35 17.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.708 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.5 -47.39 5.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.82 -42.91 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.767 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.91 57.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 128' ' ' ALA . 88.3 mt -65.59 -51.85 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -66.73 -34.98 79.04 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.494 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 13.7 ptm180 -74.41 -31.01 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.613 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -64.16 -32.82 74.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.699 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 98' ' ' LEU . 48.9 pt -95.44 -14.6 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 CA--C 1.518 -0.317 0 CA-C-O 121.596 0.582 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 60' ' ' SER . 40.6 t -75.49 125.89 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.466 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.514 ' H ' ' HG ' ' A' ' 60' ' ' SER . 56.6 p -142.91 139.06 30.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.948 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.09 176.51 9.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.7 t -157.47 156.14 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.2 tp -85.71 117.66 24.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -78.88 146.16 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 17' ' ' GLN . . . -54.64 150.67 9.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.51 -32.24 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.74 -5.5 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.528 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 25.5 mm-40 -112.35 -15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 17.5 ptm180 -73.38 -17.86 61.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.601 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 20' ' ' ASP . 3.7 pp -72.93 -26.11 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.519 ' N ' HD13 ' A' ' 19' ' ' LEU . 7.4 t70 -110.55 -16.29 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.558 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.1 t80 -67.29 -33.83 76.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.536 ' HG ' ' HA ' ' A' ' 31' ' ' MET . 11.8 tp -65.35 -54.7 30.01 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.977 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 51.8 Cg_endo -69.93 -10.97 29.69 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.087 1.858 . . . . 0.0 112.102 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 m -91.23 -39.82 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -104.47 -28.01 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' O ' HD21 ' A' ' 30' ' ' LEU . 2.4 t80 -99.78 -38.88 8.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.48 138.19 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 29.6 Cg_endo -62.94 -20.59 71.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.453 2.102 . . . . 0.0 112.224 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' NE ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -101.87 -28.4 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.91 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 9.1 mp -75.97 -33.32 59.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.536 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.1 ptm -32.67 -40.61 0.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.587 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -97.93 -40.02 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -179.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.91 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 11.5 ptm180 -71.33 -11.31 60.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.735 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -103.95 -44.07 1.69 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.771 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 12.1 pt-20 -60.04 -37.69 80.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.38 -18.6 60.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.902 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.673 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 1.8 mt -81.41 -37.2 28.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.755 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 4.1 m -70.7 -37.99 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.051 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -27.99 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -58.42 -37.96 76.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.6 m95 -82.08 -32.66 30.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.907 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 40.9 tpp -63.8 -52.59 59.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.74 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -19.32 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.9 mtp180 -84.33 -23.29 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD21 HG12 ' A' ' 78' ' ' VAL . 22.0 mt -69.81 -28.12 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.398 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 47.4 t -130.33 137.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.732 0.301 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.3 pt-20 -76.51 -25.02 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.605 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 75.8 mtp180 -109.16 48.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.022 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.2 t80 -114.66 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.206 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.32 -54.02 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.19 -173.47 42.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 68' ' ' PRO . . . -175.16 177.02 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.921 0.391 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.08 94.82 9.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.688 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 79.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HB3' HD11 ' A' ' 12' ' ' LEU . 88.5 m-70 -50.25 131.91 24.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.377 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.626 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 22.7 m-30 -80.39 132.25 35.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.111 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 11' ' ' SER . 46.8 m-85 -117.87 141.05 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 111.92 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.39 104.74 14.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.8 mt -85.76 152.65 22.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 9' ' ' THR . 57.8 m -62.76 -29.42 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' OD2' HG22 ' A' ' 8' ' ' VAL . 98.5 m-20 -88.66 6.34 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.29 7.71 64.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.0 86.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.298 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 56' ' ' TYR . 29.4 t80 63.21 121.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.945 0.402 . . . . 0.0 111.311 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.553 ' HE2' ' HB3' ' A' ' 67' ' ' ALA . 2.5 p90 -133.63 148.36 51.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.571 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 71.7 mtp -105.31 135.16 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.902 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.553 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -130.69 123.73 20.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 38.8 Cg_exo -59.96 164.36 12.24 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.577 2.185 . . . . 0.0 111.757 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.545 ' O ' HD11 ' A' ' 70' ' ' LEU . 25.7 t70 -107.66 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -134.46 102.66 5.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.209 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.68 112.81 20.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.65 -148.28 18.66 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -112.89 111.52 22.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.89 114.45 27.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.554 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 15.2 mm-40 -57.22 108.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.822 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 45' ' ' LEU . 3.0 mm -123.97 106.63 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.003 0.43 . . . . 0.0 111.235 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.47 106.25 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.22 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG12 HD21 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -72.84 111.08 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.763 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -83.25 22.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 178.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -101.14 -25.26 8.44 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 4.7 p30 -145.18 8.53 1.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.988 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.97 23.54 67.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.959 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.52 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 50.1 t80 -83.58 92.55 7.67 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 117.923 0.862 . . . . 0.0 111.154 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.037 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.71 128.78 1.38 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.762 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 10.6 pt-20 -61.81 141.28 58.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.572 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.7 tp -151.48 146.61 26.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -62.44 155.19 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.11 -13.36 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.08 -59.2 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.122 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -69.19 -16.91 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.92 -36.39 12.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.269 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 97' ' ' THR . . . -58.54 -19.14 40.34 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.316 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.06 -40.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.585 HG13 HG23 ' A' ' 141' ' ' ILE . 40.8 t -73.44 -33.85 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.5 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.907 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -66.58 -46.98 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.738 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.529 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -71.59 -44.21 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.528 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.53 -52.07 63.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.291 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 4.9 m-85 -55.54 -35.07 65.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -62.57 -39.39 93.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 95.4 mt -62.89 -45.26 93.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.993 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.54 94.76 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.222 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -75.21 -46.26 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 0.0 111.174 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 117' ' ' LEU . 2.4 tm? -56.84 -34.55 67.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.571 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HA ' HD22 ' A' ' 117' ' ' LEU . . . -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.03 -15.97 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.467 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 HD12 ' A' ' 104' ' ' LEU . 2.2 pp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 118' ' ' ILE . 18.1 mm -48.92 -28.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -46.23 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.981 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.36 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.432 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.401 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 10.0 t80 -57.23 -50.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -64.05 -34.2 77.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.62 -56.74 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.455 HD13 HD11 ' A' ' 59' ' ' LEU . 61.9 tp -61.84 -47.4 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.6 -37.03 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.35 78.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.679 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 71.6 t80 -71.59 -25.78 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.513 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.2 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.653 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.51 -21.97 66.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.58 -13.32 67.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -71.41 144.92 89.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.565 0.221 . . . . 0.0 111.003 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.8 -13.72 32.19 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 111.834 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -118.34 21.14 12.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.778 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -40.5 -45.35 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -54.07 -44.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.564 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.49 -39.72 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.749 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 91' ' ' ALA . 95.8 mt -62.05 -54.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -64.66 -36.16 83.37 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -74.77 -23.5 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 109.954 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.439 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -73.07 -36.6 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.884 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.585 HG23 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -90.94 -11.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.966 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 CA--C 1.519 -0.256 0 CA-C-O 121.133 0.389 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 61' ' ' ASP . 20.8 t -127.24 136.17 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.283 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 72.9 p -139.84 139.82 36.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -91.16 174.3 7.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -157.03 166.56 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.8 tp -99.05 117.99 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.1 p -85.33 152.57 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.273 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.16 159.8 0.42 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.307 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -77.04 -25.12 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.423 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.05 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.668 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -113.88 -18.17 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 0.0 111.258 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.714 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.5 ptm180 -66.59 -21.4 66.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.55 -19.49 55.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.465 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 25.1 t70 -104.63 -19.36 14.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.661 ' HE1' ' HB3' ' A' ' 64' ' ' PHE . 24.6 t80 -65.52 -43.49 89.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -59.27 -54.32 57.35 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.54 -18.83 33.06 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.138 1.892 . . . . 0.0 112.407 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -81.65 -33.15 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.917 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -103.87 -18.74 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -112.73 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.025 0.441 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.02 137.68 3.86 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' O ' ' HE1' ' A' ' 31' ' ' MET . 19.2 Cg_endo -58.68 -12.63 14.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.425 2.083 . . . . 0.0 112.012 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.51 HH21 ' HE ' ' A' ' 33' ' ' ARG . 6.4 tpt180 -101.95 -39.11 7.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.485 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.06 -28.69 64.55 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.533 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.36 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ptm -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.742 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HE ' HH21 ' A' ' 29' ' ' ARG . 99.8 mtt180 -64.9 -22.83 67.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -99.55 -41.28 2.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.56 -41.48 85.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -28.34 62.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.603 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.734 HD21 ' HG ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -72.67 -42.49 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 0.6 OUTLIER -64.75 -41.19 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.785 -179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -26.75 59.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.5 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -63.7 -44.69 92.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.752 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.2 m95 -69.71 -31.69 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.735 ' HE1' ' HB3' ' A' ' 92' ' ' ALA . 8.3 tpt -64.99 -51.4 61.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.807 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.5 ptt180 -61.08 -13.28 15.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -88.78 -28.43 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 78' ' ' VAL . 35.4 mt -76.91 -28.18 55.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.6 t -126.58 130.6 50.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.698 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -76.53 -23.35 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.06 0.457 . . . . 0.0 110.2 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mmm180 -105.61 47.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.921 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.611 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -118.09 97.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.108 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.564 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -83.24 -71.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.844 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.05 165.45 31.2 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.86 33.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.827 0.346 . . . . 0.0 111.573 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.68 94.69 9.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 64.6 m95 -75.96 80.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.129 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 82.2 m-70 -53.24 146.3 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.375 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.714 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 23.2 m-85 -92.37 129.29 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' ' 11' ' ' SER . 47.2 m-85 -114.76 140.09 49.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.439 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.31 101.49 11.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.574 HD13 ' HA3' ' A' ' 62' ' ' GLY . 10.0 mt -74.68 145.15 43.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.2 m -70.8 -25.5 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.258 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB2' HG23 ' A' ' 8' ' ' VAL . 6.6 m-20 -153.44 14.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.603 ' HA2' ' CB ' ' A' ' 123' ' ' PHE . . . -116.84 11.65 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.457 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.06 -82.83 1.21 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.132 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.661 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 31.6 p90 179.61 142.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -132.36 149.08 52.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 59.3 mtp -104.71 133.84 48.87 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.396 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -129.81 130.6 23.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.955 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 54' ' ' TRP . 44.0 Cg_endo -67.63 159.81 50.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.429 2.086 . . . . 0.0 111.762 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.615 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.9 t70 -100.73 84.23 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.542 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 69' ' ' ASP . 3.0 mm? -138.25 110.78 7.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.61 112.89 24.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.98 -156.3 25.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.632 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -106.55 111.82 24.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.044 0.45 . . . . 0.0 110.73 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 70' ' ' LEU . 72.7 mt -99.03 132.48 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.079 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 9.6 pt-20 -85.51 93.21 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.666 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 ' HB3' ' A' ' 45' ' ' LEU . 4.1 mm -109.32 105.04 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.51 104.25 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.895 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.708 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.15 110.0 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.503 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -33.92 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.112 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.63 -33.08 8.53 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.798 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 1.6 p-10 -133.4 8.58 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.63 52.06 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.485 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 46.7 t80 -89.13 112.42 23.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.484 0.642 . . . . 0.0 111.312 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -96.47 112.79 24.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.85 130.26 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.04 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 38.6 mt-10 -71.1 124.57 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.557 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 ' HB1' ' A' ' 91' ' ' ALA . 3.0 mm? -127.89 164.43 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.0 p -84.55 156.35 21.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.879 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -52.37 -28.36 19.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.54 -56.65 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.283 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 87' ' ' LEU . . . -67.31 -15.68 63.83 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.735 ' HB3' ' HE1' ' A' ' 42' ' ' MET . . . -91.89 -36.66 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.546 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.538 ' O ' HG22 ' A' ' 97' ' ' THR . . . -60.94 -14.68 39.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.566 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.426 HG21 ' HB2' ' A' ' 128' ' ' ALA . 3.8 mm -74.16 -40.86 51.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.081 0.467 . . . . 0.0 110.603 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.8 HG13 HG23 ' A' ' 141' ' ' ILE . 61.5 t -76.61 -27.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.819 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.534 ' C ' HG21 ' A' ' 38' ' ' VAL . . . -72.87 -50.5 23.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.582 ' HA ' ' HB ' ' A' ' 38' ' ' VAL . 5.6 t -69.86 -41.23 75.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.663 0.268 . . . . 0.0 111.082 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 124' ' ' LEU . 20.2 mt -56.44 -50.79 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.499 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.52 ' HE1' HG23 ' A' ' 141' ' ' ILE . 5.9 m-85 -57.79 -31.4 66.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.709 0.29 . . . . 0.0 111.36 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -65.99 -41.3 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.07 -41.17 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.413 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.27 77.08 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.593 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' OE1' HD22 ' A' ' 37' ' ' LEU . 21.9 tt0 -77.98 -48.67 15.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.966 0.383 . . . . 0.0 111.551 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.734 ' HG ' HD21 ' A' ' 37' ' ' LEU . 83.3 mt -60.01 -40.32 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.434 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.681 ' HB2' HD22 ' A' ' 117' ' ' LEU . . . -62.03 -34.74 76.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.99 -9.22 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.475 -179.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.634 ' N ' HD11 ' A' ' 117' ' ' LEU . 15.4 mm -63.46 -31.96 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -43.7 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.831 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 10.4 mpt_? -56.79 -37.61 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.957 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -70.28 -51.66 28.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -52.05 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.686 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.603 ' CB ' ' HA2' ' A' ' 62' ' ' GLY . 23.5 m-85 -88.36 -50.76 6.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.087 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.48 ' HB3' HD23 ' A' ' 98' ' ' LEU . 4.3 tt -49.84 -56.14 11.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.432 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.641 ' NH1' HD12 ' A' ' 141' ' ' ILE . 21.4 ttt85 -46.79 -40.6 13.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.36 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.17 -34.17 88.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.51 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 76.1 t80 -69.92 -35.03 74.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 137' ' ' ILE . . . -63.05 -18.36 63.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.27 -26.94 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.029 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.89 -3.21 90.66 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.249 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.414 ' HD1' ' HD2' ' A' ' 132' ' ' PRO . 13.1 m-70 -82.0 151.9 67.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.583 0.23 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.414 ' HD2' ' HD1' ' A' ' 131' ' ' HIS . 43.0 Cg_endo -67.42 -18.42 49.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.566 2.178 . . . . 0.0 112.026 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.77 16.68 21.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.566 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.77 -44.99 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.139 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -54.48 -44.69 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.548 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.672 ' HA ' ' NE ' ' A' ' 139' ' ' ARG . . . -70.57 -36.02 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.47 HG22 ' HB3' ' A' ' 128' ' ' ALA . 94.5 mt -67.33 -51.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.64 -35.4 80.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.672 ' NE ' ' HA ' ' A' ' 136' ' ' ALA . 40.5 ptt180 -74.14 -33.16 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.105 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.429 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -63.65 -30.45 71.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.8 HG23 HG13 ' A' ' 95' ' ' VAL . 42.6 pt -96.96 -15.59 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 CA--C 1.518 -0.297 0 CA-C-O 121.123 0.385 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -127.27 140.08 50.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.257 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.5 p -146.44 142.69 28.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -87.35 171.44 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -155.01 167.66 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.625 HD11 ' NH2' ' A' ' 18' ' ' ARG . 13.5 tp -92.27 129.29 38.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' A' ' 58' ' ' ALA . 16.6 t -89.5 153.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.328 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -59.49 145.22 44.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.922 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -63.7 -26.41 68.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.485 -179.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.01 -9.49 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -111.72 -14.55 13.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' NH2' HD11 ' A' ' 12' ' ' LEU . 16.1 mtt180 -66.33 -32.47 73.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.27 -23.16 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.631 ' N ' HD11 ' A' ' 19' ' ' LEU . 8.2 t70 -115.74 -8.23 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.292 . . . . 0.0 111.407 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.66 -35.1 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.755 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 1.1 mm? -65.41 -54.97 27.69 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 37.2 Cg_endo -66.71 -8.45 21.24 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.948 1.766 . . . . 0.0 111.591 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.87 -45.69 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.316 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -97.75 -36.97 10.05 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.617 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.87 -44.94 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 110.077 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.9 148.17 5.42 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.09 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.524 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 15.0 Cg_endo -56.75 -23.45 49.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.432 2.088 . . . . 0.0 112.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -95.65 -46.44 6.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.379 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.617 HD11 ' O ' ' A' ' 26' ' ' PHE . 82.5 mt -65.59 -27.29 68.31 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.434 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -33.79 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.699 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.8 ptp -105.58 -37.98 6.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 0.0 110.446 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.65 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 4.5 mmp_? -66.3 -15.35 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -106.38 -43.64 1.45 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.365 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.699 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.6 pt-20 -56.4 -34.12 66.42 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.93 65.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 9.6 mt -70.31 -41.43 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.9 m -63.91 -39.97 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB2' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -78.25 -28.4 47.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -59.38 -47.26 86.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.522 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.8 m95 -70.83 -33.53 70.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.639 ' HE2' ' HA ' ' A' ' 42' ' ' MET . 2.4 tpt -59.04 -37.47 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 17.2 ptm180 -84.54 -13.13 52.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 53.6 mtp180 -83.92 -10.21 58.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 76' ' ' ILE . 21.7 mt -93.16 -18.64 22.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.66 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HB2' HD12 ' A' ' 76' ' ' ILE . 24.5 t -146.45 120.18 9.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.414 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -26.28 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.183 0.516 . . . . 0.0 110.045 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -91.77 41.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CD2' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -117.16 98.82 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -82.77 -17.41 44.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.3 139.3 10.46 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.84 -158.9 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.728 0.299 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -92.91 99.56 12.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.515 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -80.78 80.46 7.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.001 -179.379 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.496 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 86.6 m-70 -50.33 148.09 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.352 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.525 ' HE1' ' HE3' ' A' ' 66' ' ' MET . 14.5 m-85 -91.77 133.15 35.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.072 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -117.88 141.93 47.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.698 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -106.7 93.33 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.591 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.0 mt -66.15 146.8 54.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 t -68.82 -19.27 64.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.584 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -88.87 -32.27 17.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.14 34.17 2.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.3 -42.93 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.1 t80 63.51 114.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.969 0.414 . . . . 0.0 111.333 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.545 ' HB2' HG22 ' A' ' 97' ' ' THR . 2.6 p90 -130.33 146.94 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.525 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 73.1 mtp -104.73 132.84 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 65' ' ' TYR . . . -127.99 125.13 23.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.464 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HG3' ' HD1' ' A' ' 54' ' ' TRP . 35.2 Cg_exo -59.29 157.14 31.82 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 111.786 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 27.9 t70 -100.84 83.91 2.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.402 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 62.6 mt -142.52 115.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.689 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.48 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.516 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.24 -166.99 27.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.754 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -94.43 106.33 18.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 70' ' ' LEU . 57.6 mt -100.46 109.35 21.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.375 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.46 95.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.086 0.47 . . . . 0.0 110.323 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -111.36 110.75 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.783 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -85.53 105.12 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.179 0.514 . . . . 0.0 109.985 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 140' ' ' ALA . 23.4 t -72.7 95.04 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.413 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -64.66 -34.09 77.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.779 0.323 . . . . 0.0 110.723 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.06 -29.44 0.2 Allowed Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.315 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.536 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 p30 -153.64 14.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 0.0 111.317 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.06 19.01 73.44 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.79 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 49.3 t80 -83.75 93.01 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.215 0.507 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -80.49 109.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.983 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.85 116.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.457 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.74 124.75 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 87' ' ' LEU . 4.3 tp -138.48 178.38 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.131 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -80.85 160.07 24.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.717 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.84 -23.04 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.04 -59.28 2.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.35 -12.49 60.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.54 -34.46 14.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.024 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 97' ' ' THR . . . -65.18 -18.51 65.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.363 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mm -68.37 -43.44 84.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.085 0.469 . . . . 0.0 110.186 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.643 HG11 HG21 ' A' ' 141' ' ' ILE . 37.5 t -76.19 -23.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -74.03 -47.5 36.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.474 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 65' ' ' TYR . 7.1 t -75.85 -43.09 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.635 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.95 -51.03 59.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.525 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.2 m-85 -58.77 -32.66 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -62.72 -43.66 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -56.38 -41.09 75.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.44 -30.98 73.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.668 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 3.1 tp-100 -71.76 -49.61 37.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.47 HD13 HD21 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -59.72 -46.39 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.17 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.472 ' CA ' HD22 ' A' ' 117' ' ' LEU . . . -65.04 -10.69 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.45 -25.34 12.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 16.2 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.472 HD22 ' CA ' ' A' ' 105' ' ' ALA . 1.8 pp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.5 mm -50.03 -31.34 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.451 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -45.27 68.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -57.11 -34.35 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.403 ' HE1' ' CZ ' ' A' ' 125' ' ' ARG . 22.0 t80 -70.64 -47.46 59.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.32 -33.5 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.31 -51.76 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 65' ' ' TYR . 3.9 tt -52.02 -54.59 28.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.318 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 121' ' ' TYR . 39.1 ttm180 -44.79 -40.3 5.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.592 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.85 -36.92 93.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.703 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 85.6 t80 -70.62 -33.01 70.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 131' ' ' HIS . . . -61.51 -25.31 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.532 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . . . -73.17 -26.74 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.39 -7.55 84.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.39 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 8.1 m-70 -70.0 152.15 95.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.614 0.245 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.89 -4.36 11.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.515 2.143 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -134.15 27.31 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.309 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -41.62 -42.85 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.976 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.42 94.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.319 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.24 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.969 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.458 ' O ' HG12 ' A' ' 141' ' ' ILE . 53.5 mt -77.82 -27.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.618 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 134' ' ' ALA . 1.2 t80 -69.85 -47.42 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.933 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 ptm180 -76.71 -26.69 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 78' ' ' VAL . . . -66.91 -36.8 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.643 HG21 HG11 ' A' ' 95' ' ' VAL . 38.0 pt -93.79 -15.47 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.961 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.508 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 58.5 Cg_endo . . . . . 0 C--O 1.231 0.157 0 N-CA-C 113.403 0.501 . . . . 0.0 113.403 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.556 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 30.4 t -45.21 124.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.91 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 7' ' ' PRO . 65.2 p -139.41 140.05 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.402 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.69 162.97 19.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 111.316 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -150.12 155.88 40.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 55' ' ' HIS . 20.5 tp -85.6 137.11 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.6 135.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 17' ' ' GLN . . . -41.56 146.54 0.22 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.5 pt-20 -63.71 -23.97 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.956 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 -2.45 37.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -111.0 -20.96 12.23 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.236 0.541 . . . . 0.0 110.449 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 15.6 ptp180 -71.83 -17.05 62.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.661 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -77.7 -29.95 51.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.243 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.492 ' N ' HD11 ' A' ' 19' ' ' LEU . 27.4 t70 -107.0 -20.0 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.691 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 41.9 t80 -62.5 -26.63 68.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 26' ' ' PHE . 10.6 tp -73.75 -57.05 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 39.7 Cg_endo -68.18 -19.98 44.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.03 1.82 . . . . 0.0 112.519 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -92.32 -41.51 10.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -97.36 -45.63 6.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.46 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.7 t80 -77.49 -44.41 28.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.346 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.857 ' HA3' HD12 ' A' ' 30' ' ' LEU . . . 127.48 146.54 6.42 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.258 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.35 -12.21 34.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.507 2.138 . . . . 0.0 111.229 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.489 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -123.91 30.06 6.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.857 HD12 ' HA3' ' A' ' 27' ' ' GLY . 5.7 mp -138.95 -36.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.104 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.518 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -41.99 -49.24 4.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.294 179.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.2 ptm -88.46 -39.1 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.561 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB3' HD13 ' A' ' 104' ' ' LEU . 19.3 mmm180 -55.43 -32.79 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.187 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.615 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -100.62 -36.74 3.93 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.192 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.56 -50.36 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.351 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.58 70.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.998 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.82 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -65.9 -42.42 90.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.64 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.7 m -72.82 -39.75 59.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -31.58 64.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.833 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -57.54 -49.39 76.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 110.116 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -64.67 -36.04 82.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.838 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.767 ' HE2' ' HG3' ' A' ' 68' ' ' PRO . 9.5 tpt -61.23 -49.16 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.768 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 4.5 ppt_? -68.97 -9.92 54.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.41 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.8 mtp180 -89.72 -17.28 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.719 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 76' ' ' ILE . 12.2 mt -83.48 -23.17 32.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.7 t -131.61 135.07 46.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.944 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.2 pt-20 -79.71 -19.02 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 110.139 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.612 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 42.1 mtm180 -112.53 47.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.572 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.3 t80 -113.46 93.3 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.787 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -0.58 40.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.33 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.42 15.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.24 174.46 2.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.663 0.268 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.21 96.62 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.84 78.55 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 82.3 m-70 -51.91 127.3 20.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.963 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.592 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.8 m-30 -73.88 131.47 41.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.302 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 40.7 m-85 -118.43 138.72 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.074 0.464 . . . . 0.0 111.675 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.72 97.5 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD21 HG11 ' A' ' 8' ' ' VAL . 9.9 mt -72.24 151.4 42.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.556 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 92.6 p -62.94 -27.09 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.26 -29.44 31.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.24 15.38 17.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.289 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.5 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -71.65 -40.8 58.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.45 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' HE2' ' HB3' ' A' ' 56' ' ' TYR . 43.4 t80 62.92 113.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.913 0.387 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.575 ' HB2' HG22 ' A' ' 97' ' ' THR . 1.1 p90 -125.39 144.44 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.637 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.66 129.58 53.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.268 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -124.41 130.19 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.115 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HG3' ' HE2' ' A' ' 42' ' ' MET . 42.7 Cg_endo -67.72 159.54 52.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.515 2.143 . . . . 0.0 111.936 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 21.3 t70 -102.38 86.79 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 53.3 mt -144.28 101.79 3.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.835 0.35 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 143.15 30.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.493 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.31 177.79 24.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.736 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -82.43 121.61 26.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.143 0.497 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 74' ' ' LEU . 1.2 pt? -129.57 123.66 31.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.782 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.6 pt-20 -66.84 112.9 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -124.91 109.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.76 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.2 pt-20 -81.2 112.82 18.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.331 0.586 . . . . 0.0 110.486 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 140' ' ' ALA . 21.6 t -79.34 90.92 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.337 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' ND2' HD23 ' A' ' 45' ' ' LEU . 8.1 p30 -63.69 -31.62 72.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.53 -30.8 0.93 Allowed Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 113.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.527 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.9 p30 -150.43 14.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.157 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.73 72.28 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.126 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.527 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 47.7 t80 -86.98 94.07 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -78.44 107.34 11.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.006 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.05 131.5 2.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.275 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.5 mt-10 -63.41 139.76 58.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 14.9 tp -153.0 140.13 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -61.98 160.34 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.29 -19.7 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.652 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.5 -60.4 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.63 -19.83 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.243 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB1' ' HE3' ' A' ' 42' ' ' MET . . . -85.35 -36.64 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.223 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' HG21 ' A' ' 97' ' ' THR . . . -61.81 -17.5 54.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.422 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 128' ' ' ALA . 4.1 mm -73.62 -38.25 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.5 HG12 HG23 ' A' ' 141' ' ' ILE . 46.2 t -77.18 -26.46 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.351 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.516 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.93 -45.7 60.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.513 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 65' ' ' TYR . 3.6 t -74.5 -43.43 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.807 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.1 mt -53.9 -54.5 37.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.644 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 7.1 m-85 -55.21 -30.74 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.502 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.87 -41.5 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.393 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.86 -35.92 92.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.657 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.5 -48.81 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.942 0.371 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 33' ' ' ARG . 20.1 tp -57.91 -24.76 59.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.595 ' HA ' HD23 ' A' ' 117' ' ' LEU . . . -76.96 -35.61 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.99 -6.02 54.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.432 -179.684 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 105' ' ' ALA . 2.3 pp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.222 0.534 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 118' ' ' ILE . 16.3 mm -51.91 -27.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.471 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -42.86 65.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.5 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 3.2 mpt_? -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -66.05 -48.67 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -55.98 -33.64 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -80.84 -55.65 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 65' ' ' TYR . 2.9 tt -48.92 -59.68 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -45.24 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.94 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.68 72.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.844 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 72.2 t80 -66.29 -35.63 80.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 94' ' ' ILE . . . -62.06 -20.35 63.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.316 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.31 68.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.02 -4.88 88.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.278 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.73 146.11 48.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.13 -9.17 22.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.721 2.281 . . . . 0.0 112.435 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -119.62 19.74 12.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -45.8 -42.71 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.48 -43.3 64.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.578 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.01 -33.1 59.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -70.5 -51.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.35 -33.39 75.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.55 0.214 . . . . 0.0 111.414 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -75.58 -33.04 60.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.418 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.37 -31.67 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.498 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.539 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . 2.8 pp -98.26 -10.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.895 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 CA--C 1.518 -0.325 0 CA-C-O 121.218 0.424 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.508 HG23 ' OD2' ' A' ' 61' ' ' ASP . 55.7 t -90.85 130.52 39.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.624 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 54.2 p -148.62 138.83 22.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.873 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -78.33 -177.31 5.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 35.1 t -159.5 155.8 27.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.15 116.68 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.89 152.16 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.151 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.25 157.91 1.29 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.08 -28.21 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.95 -6.47 38.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.408 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.8 mm-40 -109.7 -16.12 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.529 HH22 ' HA ' ' A' ' 55' ' ' HIS . 17.6 ptm180 -73.91 -25.88 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.643 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.55 HD11 ' N ' ' A' ' 20' ' ' ASP . 3.4 pp -70.4 -25.9 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.133 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' N ' HD11 ' A' ' 19' ' ' LEU . 13.0 t70 -104.24 -17.91 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.0 t80 -66.34 -37.38 85.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.4 tp -61.23 -56.43 34.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.276 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 37.2 Cg_endo -66.16 -14.86 46.21 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.851 1.701 . . . . 0.0 110.977 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 1.7 m -72.25 -36.56 69.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.832 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -119.49 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.951 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -40.12 -41.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.549 178.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.532 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 116.05 141.07 7.12 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.299 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 18.4 Cg_endo -58.98 -13.55 19.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.462 2.108 . . . . 0.0 111.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.74 -41.84 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.427 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 26' ' ' PHE . 10.3 mp -68.11 -30.33 69.46 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -33.32 -35.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.541 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.5 ptp -103.68 -35.99 8.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.418 . . . . 0.0 110.24 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 23.2 mmm180 -70.12 -12.5 61.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.397 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.512 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -109.4 -45.14 1.01 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.654 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.8 pt-20 -58.29 -34.54 70.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.22 -29.69 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.593 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.668 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -73.6 -36.7 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 34' ' ' GLY . 3.1 m -69.9 -40.9 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.73 -23.6 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -62.35 -40.7 97.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.4 m95 -75.73 -32.84 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.545 ' SD ' ' HB1' ' A' ' 96' ' ' ALA . 7.3 tpt -60.17 -47.2 86.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.361 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -67.13 -15.09 63.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.1 mtt180 -82.53 -19.22 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.1 0.476 . . . . 0.0 110.489 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 76' ' ' ILE . 17.9 mt -82.24 -29.51 31.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.705 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.753 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 51.4 t -128.65 141.06 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.699 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.86 -21.77 37.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -115.83 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.753 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 4.0 t80 -111.1 94.76 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.31 -60.23 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.63 -173.27 43.27 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.658 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . . . -174.99 177.34 1.98 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -91.34 97.79 11.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.426 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.76 79.35 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.529 ' HA ' HH22 ' A' ' 18' ' ' ARG . 94.7 m-70 -48.46 142.3 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.365 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.6 m-30 -84.94 128.57 34.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.405 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 45.2 m-85 -119.04 140.58 49.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.536 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.566 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.53 109.22 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.978 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.546 HD13 HD11 ' A' ' 124' ' ' LEU . 9.7 mt -85.46 149.6 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.477 ' OG ' HG13 ' A' ' 8' ' ' VAL . 99.9 p -71.02 -25.28 62.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.428 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.508 ' OD2' HG23 ' A' ' 8' ' ' VAL . 14.7 m-20 -71.48 -33.45 69.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.155 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.29 14.37 10.85 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.15 -48.8 4.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 49.6 m-85 64.77 126.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.539 ' HB2' HG22 ' A' ' 97' ' ' THR . 5.1 p90 -140.84 168.57 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 111.504 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 35' ' ' GLU . 23.5 mtm -124.5 146.91 48.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -137.21 125.42 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 47.8 Cg_exo -56.12 162.21 7.75 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 30.4 t70 -105.28 88.57 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.508 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 74' ' ' LEU . 21.8 mt -138.6 109.58 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.85 107.64 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.61 -159.84 27.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.613 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -107.48 110.7 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.709 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 70' ' ' LEU . 2.7 mp -115.91 116.2 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.1 106.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -117.34 108.39 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -80.35 116.78 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.135 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 140' ' ' ALA . 18.6 t -88.08 93.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.395 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.79 -35.46 80.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.47 -27.87 0.17 Allowed Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.45 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.542 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.6 p30 -150.66 13.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.938 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.88 17.04 69.02 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.542 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 35.2 t80 -78.71 87.02 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -74.7 106.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.557 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.35 148.67 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.279 . . . . 0.0 110.27 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 91' ' ' ALA . 8.0 tp -160.92 148.31 15.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.884 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -68.52 158.42 33.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.66 -8.77 4.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.439 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.59 -56.32 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.222 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . . . -77.0 -10.26 59.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' CB ' ' HE3' ' A' ' 42' ' ' MET . . . -96.92 -36.04 10.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.807 0.337 . . . . 0.0 110.421 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' THR . . . -59.44 -20.51 51.47 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.143 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.2 -41.01 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 141' ' ' ILE . 21.3 t -73.06 -33.36 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.166 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.545 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -67.72 -46.42 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.854 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.585 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 HD13 HD12 ' A' ' 141' ' ' ILE . 25.0 mt -57.3 -50.48 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 5.2 m-85 -57.55 -29.49 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.495 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.03 86.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.329 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.6 mt -57.91 -41.85 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.314 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.83 -13.6 69.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.487 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -91.21 -45.28 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.952 0.376 . . . . 0.0 111.35 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.668 ' HG ' HD22 ' A' ' 37' ' ' LEU . 89.5 mt -63.35 -34.13 77.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.545 ' CB ' HD13 ' A' ' 117' ' ' LEU . . . -64.14 -38.8 92.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.76 -9.15 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.615 0.245 . . . . 0.0 111.358 -179.51 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.877 0.37 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.578 ' N ' HD11 ' A' ' 117' ' ' LEU . 18.3 mm -61.28 -21.28 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -46.33 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.941 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.586 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 10.7 mpt_? -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.077 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.418 ' HH ' HD13 ' A' ' 141' ' ' ILE . 31.6 t80 -54.43 -55.9 24.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -55.88 -30.27 61.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.586 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 18.2 m-85 -67.73 -58.38 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 59' ' ' LEU . 36.0 tp -59.05 -50.55 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -45.94 -37.34 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.325 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.33 89.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.847 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 29.9 t80 -69.22 -29.21 67.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' A' ' 137' ' ' ILE . . . -62.96 -19.31 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.839 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.55 49.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.59 -8.54 84.59 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.095 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -78.36 150.51 76.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.568 0.223 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.06 -21.95 62.64 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.487 2.125 . . . . 0.0 111.846 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.83 17.55 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.48 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.0 -48.74 4.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.211 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.93 -46.35 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.76 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.22 -38.32 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 91' ' ' ALA . 91.9 mt -66.68 -52.34 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.9 p90 -65.1 -36.1 83.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.76 -30.32 62.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.454 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.9 -34.37 78.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.689 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.562 HG23 HG13 ' A' ' 95' ' ' VAL . 49.9 pt -93.97 -13.37 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.984 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.963 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.166 0.403 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 61' ' ' ASP . 90.8 t -101.51 136.09 34.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.291 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 59.7 p -150.44 141.93 23.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . . . -78.68 178.17 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.8 t -155.74 154.55 31.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.896 0.379 . . . . 0.0 111.235 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD11 ' NH2' ' A' ' 18' ' ' ARG . 17.7 tp -87.99 121.2 30.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.07 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.06 149.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.269 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -66.54 143.8 56.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -58.35 -31.33 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.645 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.99 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -113.15 -13.07 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.371 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.634 HH22 ' HD1' ' A' ' 55' ' ' HIS . 9.8 mtt180 -64.38 -34.18 77.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.885 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 ' N ' ' A' ' 20' ' ' ASP . 1.5 pp -63.65 -21.7 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.372 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.631 ' N ' HD11 ' A' ' 19' ' ' LEU . 31.7 t70 -111.71 -16.63 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.162 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.31 -43.9 96.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -63.66 -52.73 56.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.637 -179.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.498 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 56.8 Cg_endo -70.5 -17.66 34.06 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.027 1.818 . . . . 0.0 112.709 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -85.95 -39.19 17.18 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.49 -28.97 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -97.42 -41.16 8.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.808 ' HA3' HD22 ' A' ' 30' ' ' LEU . . . 137.27 138.82 3.8 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.166 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -58.94 -20.21 51.74 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.172 1.914 . . . . 0.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.18 -39.85 8.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.89 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.808 HD22 ' HA3' ' A' ' 27' ' ' GLY . 1.6 mm? -69.01 -29.3 67.46 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.502 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -32.06 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.596 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 26.2 ptt? -105.05 -34.68 7.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 0.0 110.395 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.596 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 3.6 mmp_? -66.97 -19.18 65.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA2' HD12 ' A' ' 104' ' ' LEU . . . -107.3 -42.61 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.385 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.71 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.0 tt0 -55.45 -36.27 66.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.92 -26.09 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.991 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.731 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -70.75 -39.99 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.907 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG21 ' N ' ' A' ' 39' ' ' TYR . 3.5 m -68.64 -42.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' N ' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.27 -22.17 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.12 -40.93 99.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.722 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.518 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.7 m95 -75.32 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.794 ' HE2' ' HB1' ' A' ' 96' ' ' ALA . 34.5 tpp -62.04 -49.72 74.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.458 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -63.92 -17.79 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.389 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 66.9 mtp180 -81.5 -19.8 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 76' ' ' ILE . 16.9 mt -88.58 -20.75 24.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.55 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.0 t -126.11 139.32 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.736 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.15 -22.93 30.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.155 0.502 . . . . 0.0 110.297 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -114.42 52.65 0.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.883 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.687 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -116.61 102.6 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.979 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -83.22 -67.09 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.54 176.02 41.16 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' CB ' HD23 ' A' ' 70' ' ' LEU . . . -167.14 167.42 14.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.895 0.379 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -93.18 96.65 10.15 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 52.6 m95 -75.71 84.17 2.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.768 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.634 ' HD1' HH22 ' A' ' 18' ' ' ARG . 84.9 m-70 -55.35 128.67 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.862 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -72.26 131.05 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.666 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 38.3 m-85 -118.58 140.73 49.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.588 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.73 105.47 14.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD12 HD12 ' A' ' 124' ' ' LEU . 13.4 mt -83.72 147.82 27.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m -79.92 -0.82 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HB2' HG13 ' A' ' 8' ' ' VAL . 43.6 t0 -99.13 -9.37 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.07 59.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.677 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 120' ' ' ARG . . . -81.03 -55.23 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.588 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 62.4 m-85 64.25 120.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.775 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -141.51 167.71 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.747 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.71 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 33.6 mtm -123.16 146.21 47.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.345 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' TRP . . . -137.36 137.29 22.0 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.315 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 33.6 Cg_endo -64.2 162.4 30.08 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.603 2.202 . . . . 0.0 112.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.601 ' C ' HD22 ' A' ' 70' ' ' LEU . 38.6 t70 -105.68 83.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.601 HD22 ' C ' ' A' ' 69' ' ' ASP . 3.0 mm? -137.12 113.08 9.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.627 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.18 115.89 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.93 -152.95 20.91 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.727 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 9.9 mpt_? -111.46 117.67 33.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.474 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD13 ' CB ' ' A' ' 70' ' ' LEU . 75.8 mt -102.97 116.44 32.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 39.6 tt0 -66.36 88.67 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' A' ' 45' ' ' LEU . 2.3 mm -109.15 106.81 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.563 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -82.88 119.38 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 80' ' ' GLY . 35.8 t -83.17 92.85 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.214 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -77.37 21.57 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.174 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -95.51 -19.62 29.37 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.418 HD22 ' HA ' ' A' ' 140' ' ' ALA . 9.2 p30 -156.27 12.03 0.28 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.758 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.84 79.75 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.72 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.402 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 55.1 t80 -91.45 96.18 10.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.423 0.611 . . . . 0.0 111.623 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -81.28 111.44 17.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.7 127.96 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.668 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 40.8 mt-10 -73.19 116.13 13.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mp -126.92 152.95 46.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.477 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.0 p -73.74 162.25 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.282 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.68 -15.95 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -83.11 -57.35 3.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' ' 94' ' ' ILE . . . -71.45 -8.19 52.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.843 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.2 -31.41 10.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' O ' HG23 ' A' ' 97' ' ' THR . . . -64.85 -13.7 57.16 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.22 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 91' ' ' ALA . 4.1 mt -80.67 -54.9 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.585 HG23 HG22 ' A' ' 141' ' ' ILE . 60.4 t -62.07 -23.4 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.794 ' HB1' ' HE2' ' A' ' 42' ' ' MET . . . -75.75 -47.06 27.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.466 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.558 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.7 t -75.28 -35.52 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.419 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.558 HD21 HD11 ' A' ' 101' ' ' LEU . 30.9 mt -62.61 -50.12 72.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.969 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 2.7 m-85 -57.4 -26.29 60.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.409 . . . . 0.0 110.737 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -76.08 -38.28 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD11 HD21 ' A' ' 98' ' ' LEU . 77.3 mt -58.08 -41.11 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.93 -28.09 72.27 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.267 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.552 ' NE2' HD12 ' A' ' 37' ' ' LEU . 21.8 tt0 -78.53 -47.71 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.955 0.377 . . . . 0.0 111.188 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.545 HD12 ' HA2' ' A' ' 34' ' ' GLY . 79.1 mt -60.25 -30.13 69.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.733 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.554 ' HA ' HD23 ' A' ' 117' ' ' LEU . . . -74.33 -34.34 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.899 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.24 -13.51 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 105' ' ' ALA . 1.9 pp . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.38 -31.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.688 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.468 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -49.92 -47.53 52.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.253 179.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.545 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -54.46 -40.2 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.305 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.94 -56.98 15.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -57.28 -27.82 62.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.467 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 119' ' ' ASP . 23.1 m-30 -72.76 -54.38 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.412 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.534 HD21 ' HG ' ' A' ' 98' ' ' LEU . 58.3 tp -63.17 -46.64 86.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.433 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -45.13 -35.38 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.583 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.02 -30.74 60.75 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.665 -0.778 . . . . 0.0 113.343 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 64.3 t80 -71.19 -34.86 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 111.594 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 137' ' ' ILE . . . -76.71 -15.32 59.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.701 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.29 59.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.545 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -94.98 8.98 70.46 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.714 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.437 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 3.0 m-70 -83.16 151.28 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.524 0.202 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.419 ' HD2' ' OE2' ' A' ' 133' ' ' GLU . 32.3 Cg_exo -58.4 -26.5 77.87 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.637 2.225 . . . . 0.0 112.306 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.437 ' OE2' ' HB3' ' A' ' 131' ' ' HIS . 1.1 pm0 -110.55 15.8 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.62 -40.98 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.463 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -48.74 -47.41 41.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.691 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 139' ' ' ARG . . . -72.2 -34.52 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.291 . . . . 0.0 111.768 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 128' ' ' ALA . 81.3 mt -67.93 -52.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.463 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 3.0 p90 -64.37 -35.59 81.38 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 ptp180 -73.48 -29.44 62.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.051 0.453 . . . . 0.0 109.88 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 95' ' ' VAL . . . -67.74 -35.33 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.866 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.585 HG22 HG23 ' A' ' 95' ' ' VAL . 50.0 pt -89.14 -15.09 9.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.835 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 113.054 0.367 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 61' ' ' ASP . 98.5 t -121.56 134.07 66.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.603 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.475 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.7 p -148.73 141.33 24.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.193 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.28 -178.76 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.3 t -158.63 162.7 37.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.92 124.17 40.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.57 151.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.53 155.34 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.012 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.93 -28.7 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.37 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.02 -4.28 49.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.509 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.1 mm-40 -114.71 -15.86 11.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.633 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 11.5 ptm180 -74.41 -24.82 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -67.53 -23.68 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 22.0 t70 -112.0 -15.51 13.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.207 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 18.5 t80 -65.06 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.161 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 13.0 tp -70.92 -55.28 6.82 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 43.5 Cg_endo -68.89 -15.34 40.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.987 1.792 . . . . 0.0 112.162 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -87.73 -40.85 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -107.31 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.548 ' O ' HD21 ' A' ' 30' ' ' LEU . 2.5 t80 -92.93 -39.7 11.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.486 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 135.86 135.55 3.46 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.217 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 22.9 Cg_endo -61.29 -20.84 69.84 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.264 1.976 . . . . 0.0 111.507 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.699 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.7 tmt_? -97.01 -40.1 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.778 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' O ' ' A' ' 26' ' ' PHE . 8.2 mp -66.11 -34.38 77.92 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.523 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -31.73 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.029 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.595 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 21.9 ptp -101.32 -36.47 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.699 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 3.3 mmp_? -69.49 -12.7 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -107.61 -43.63 1.32 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.232 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HG3' ' HE3' ' A' ' 66' ' ' MET . 38.5 tt0 -61.32 -43.56 98.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.6 -31.85 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.246 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 104' ' ' LEU . 8.8 mp -77.83 -42.72 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.679 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 97' ' ' THR . 40.2 t -57.95 -41.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 111.012 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.79 -23.88 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -65.62 -42.06 91.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.494 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.3 m95 -73.79 -30.78 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.431 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.576 ' HE2' ' HG2' ' A' ' 68' ' ' PRO . 5.5 tpt -64.23 -52.83 56.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.606 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 39' ' ' TYR . 7.2 ptp180 -58.5 -14.25 7.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.508 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -86.16 -38.37 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.469 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 76' ' ' ILE . 18.9 mt -59.81 -31.72 69.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.601 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.961 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 45.8 t -121.71 154.24 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 110.3 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -92.5 -17.7 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -114.03 7.53 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.961 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.5 t80 -65.75 91.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.401 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -73.91 -39.69 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.899 179.147 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.48 -177.17 32.79 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.11 176.89 2.02 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.37 95.5 10.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 111.222 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.13 77.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.552 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 92.0 m-70 -52.55 140.81 21.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.506 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.1 m-30 -83.49 135.17 34.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.338 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 11' ' ' SER . 49.4 m-85 -123.01 142.93 50.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.492 . . . . 0.0 111.543 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.54 109.1 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.9 mt -84.25 147.46 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -75.17 -8.82 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.698 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' HB2' HG11 ' A' ' 8' ' ' VAL . 7.8 t0 -91.9 -28.66 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.824 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.6 16.05 9.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.76 -51.85 3.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.453 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 75.5 m-85 65.21 120.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.552 ' HB2' HG22 ' A' ' 97' ' ' THR . 4.2 p90 -136.78 172.74 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.613 ' HE3' ' HG3' ' A' ' 35' ' ' GLU . 17.8 mtm -127.22 144.2 51.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.572 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -134.12 124.61 17.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.576 ' HG2' ' HE2' ' A' ' 42' ' ' MET . 31.8 Cg_exo -58.47 161.88 13.51 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.558 2.172 . . . . 0.0 111.912 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.451 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 20.2 t70 -103.33 87.05 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.51 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 64.7 mt -140.33 113.04 8.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.803 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.92 159.84 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.246 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.91 -149.83 23.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.664 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -122.77 129.72 52.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.092 0.472 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -128.79 131.07 47.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.896 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 8.7 pt-20 -64.98 112.76 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.61 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.8 mm -123.72 104.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.857 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.737 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 42.2 mt-10 -81.68 128.22 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.454 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' A' ' 80' ' ' GLY . 37.7 t -97.15 95.45 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.476 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.87 19.61 0.51 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.381 . . . . 0.0 110.82 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -92.34 -17.89 44.46 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -160.03 13.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.699 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.03 16.33 80.63 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.477 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -85.17 92.97 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.126 0.463 . . . . 0.0 111.493 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.737 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 54.1 ttp180 -84.02 111.53 19.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.29 140.39 6.95 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.88 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.564 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.4 mp0 -74.41 135.64 42.39 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 tp -152.54 150.21 29.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.3 p -72.24 159.59 33.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.42 -11.72 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.234 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.01 -59.17 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.5 -10.7 59.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.44 ' CB ' ' HE3' ' A' ' 42' ' ' MET . . . -96.08 -36.49 10.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.386 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG21 ' A' ' 97' ' ' THR . . . -59.89 -19.61 50.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.294 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -67.33 -38.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG12 HG22 ' A' ' 141' ' ' ILE . 59.5 t -81.83 -24.07 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.16 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.538 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -66.04 -48.64 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.72 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.589 ' N ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -80.75 -37.47 30.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.789 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.583 HD23 HG23 ' A' ' 141' ' ' ILE . 2.0 tp -49.23 -54.21 17.77 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.008 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.17 -34.02 71.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 97' ' ' THR . . . -58.35 -43.15 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.602 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.5 mt -58.84 -41.02 85.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.808 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.06 72.88 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.097 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.3 tt0 -76.32 -46.58 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 0.0 111.048 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' HD21 ' A' ' 37' ' ' LEU . 88.9 mt -58.07 -45.38 87.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.676 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.447 ' HB1' HD23 ' A' ' 117' ' ' LEU . . . -58.74 -34.47 71.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.31 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.806 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 18.4 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.222 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD22 ' C ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.97 0.414 . . . . 0.0 110.099 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.8 mm -60.68 -25.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.426 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -47.24 44.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.994 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.433 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 11.0 mpt_? -55.53 -38.78 69.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.97 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.75 -51.14 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.443 ' CD2' HG22 ' A' ' 118' ' ' ILE . 78.5 m-70 -60.99 -33.91 73.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.433 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 14.3 m-30 -64.9 -55.53 18.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.331 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 59' ' ' LEU . 39.5 tp -64.88 -41.77 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.646 HH22 ' HB2' ' A' ' 138' ' ' TYR . 15.1 tpt180 -47.25 -35.49 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.361 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.93 -34.09 62.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.724 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 53.7 t80 -69.79 -26.56 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.754 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.11 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.724 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.01 55.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.968 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.74 -14.97 78.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -70.67 148.85 95.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.632 0.253 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.66 -9.01 24.9 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 111.396 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -119.31 21.58 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.116 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.57 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.27 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.742 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.77 77.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.88 -50.92 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.646 ' HB2' HH22 ' A' ' 125' ' ' ARG . 1.5 p90 -66.25 -36.32 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -72.37 -33.92 67.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.404 . . . . 0.0 110.232 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.92 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.755 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.622 HG22 HG12 ' A' ' 95' ' ' VAL . 36.0 pt -91.24 -21.23 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.305 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.948 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo . . . . . 0 CA--C 1.52 -0.223 0 CA-C-O 121.275 0.448 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.796 HG12 ' HB3' ' A' ' 60' ' ' SER . 15.1 t -126.15 139.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.493 ' H ' ' HB2' ' A' ' 60' ' ' SER . 19.2 p -150.7 145.98 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.024 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . . . -92.29 -177.48 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -166.46 147.68 6.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.85 122.93 20.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 t -85.34 154.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.69 154.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.17 -26.74 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.309 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.99 -5.55 50.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.421 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -113.69 -20.96 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.691 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 10.4 ptm180 -70.58 -17.09 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 20' ' ' ASP . 3.6 pp -71.43 -24.29 62.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.63 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' HD13 ' A' ' 19' ' ' LEU . 15.4 t70 -111.36 -8.17 14.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.527 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.488 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -69.09 -57.43 7.51 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.52 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -66.59 -5.99 14.29 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.026 1.818 . . . . 0.0 111.744 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.9 m -94.98 -48.43 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.377 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -100.22 -34.96 9.8 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.466 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -88.84 -40.46 13.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.52 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 130.92 143.43 5.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.49 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 11.6 Cg_endo -55.13 -22.03 30.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.434 2.089 . . . . 0.0 111.821 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -94.19 -48.71 6.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.308 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.658 HD23 HD11 ' A' ' 104' ' ' LEU . 7.2 mp -65.83 -23.34 66.66 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.57 -39.02 0.43 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.641 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 27.0 ptm -106.03 -41.34 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -65.46 -15.02 62.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.972 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.571 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -105.49 -44.24 1.47 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.402 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 15.0 pt-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 109.898 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.37 -31.88 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 4.3 tp -67.28 -38.96 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.024 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.9 m -69.13 -37.07 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.376 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -24.97 42.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.885 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.58 -41.29 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.374 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.482 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -66.74 -33.31 75.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.86 ' HE2' ' HB3' ' A' ' 96' ' ' ALA . 53.2 tpp -62.13 -49.18 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.655 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -65.4 -14.35 60.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.625 0.25 . . . . 0.0 111.154 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -82.14 -21.2 36.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.176 0.512 . . . . 0.0 110.181 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.608 ' HB3' HG22 ' A' ' 76' ' ' ILE . 9.2 mt -82.91 -25.02 32.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.581 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 44.8 t -135.2 125.32 26.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.677 ' HG2' ' HG2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -69.89 -19.71 63.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.035 0.445 . . . . 0.0 110.749 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.677 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 18.8 mmm180 -113.04 44.68 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.942 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.683 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.9 t80 -110.91 96.94 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.402 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -68.26 -68.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.08 -173.06 45.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.652 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.7 3.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.446 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 28.1 m-85 -85.83 96.82 9.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.093 0.473 . . . . 0.0 111.249 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.41 77.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.519 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.654 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.4 m-70 -56.02 136.53 52.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.229 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.0 m-85 -86.79 134.52 33.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.54 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 61.4 m-85 -122.87 144.91 48.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 111.819 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.63 101.16 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.502 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 1.1 mm? -58.55 156.02 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.389 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.796 ' HB3' HG12 ' A' ' 8' ' ' VAL . 41.7 t -63.43 -22.24 66.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 110.233 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -103.28 -42.47 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.03 9.0 2.0 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.755 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' CB ' ' A' ' 120' ' ' ARG . . . -57.38 -38.68 88.11 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 23.8 t80 61.6 112.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.537 ' HE2' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p90 -124.18 144.07 50.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.421 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.546 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 77.2 mtp -104.63 131.9 51.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.068 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.537 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -127.62 127.74 24.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 50.7 Cg_endo -69.27 162.7 40.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.6 2.2 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.544 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 19.3 t70 -101.27 90.18 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.564 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 75.8 mt -150.43 144.53 25.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.152 0.501 . . . . 0.0 111.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 170.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.447 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.51 172.24 40.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.871 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.421 ' O ' HD21 ' A' ' 74' ' ' LEU . 33.0 mmt180 57.15 87.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD21 ' O ' ' A' ' 73' ' ' ARG . 39.9 mt -136.73 121.71 18.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.679 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.53 110.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.757 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.67 112.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.026 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 9.1 pt-20 -82.66 120.24 25.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.193 0.52 . . . . 0.0 110.048 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 48.1 t -90.03 93.19 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.328 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.24 -31.59 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.57 -32.95 0.89 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.237 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -150.71 15.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.78 17.61 71.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.457 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 30.3 t80 -77.97 88.52 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -78.14 106.06 9.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.879 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.51 133.97 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.141 -1.028 . . . . 0.0 113.19 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.7 tp -160.01 158.07 29.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 111.284 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.0 p -77.56 158.55 29.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -25.41 60.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.413 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.36 -58.7 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -13.22 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.229 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.54 -36.81 16.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.537 ' O ' HG21 ' A' ' 97' ' ' THR . . . -62.78 -18.25 59.16 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.574 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.74 -44.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.158 0.504 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.514 HG21 HG22 ' A' ' 141' ' ' ILE . 88.8 t -73.5 -24.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.382 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB3' ' HE2' ' A' ' 42' ' ' MET . . . -73.35 -46.6 48.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.751 0.31 . . . . 0.0 111.345 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.537 HG21 ' O ' ' A' ' 93' ' ' GLY . 4.9 t -74.44 -44.94 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.39 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.565 HD12 HD11 ' A' ' 141' ' ' ILE . 24.4 mt -52.04 -49.32 63.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.4 m-85 -59.26 -34.93 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.228 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 121' ' ' TYR . 89.7 mt -59.11 -43.65 91.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.95 -23.18 74.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.883 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -80.6 -46.22 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.636 0.255 . . . . 0.0 111.141 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.658 HD11 HD23 ' A' ' 30' ' ' LEU . 68.9 mt -58.05 -29.43 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.695 ' HB1' HD11 ' A' ' 117' ' ' LEU . . . -74.63 -28.57 60.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.64 -8.77 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.521 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.972 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.695 HD11 ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.301 0.572 . . . . 0.0 109.638 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.693 ' N ' HD12 ' A' ' 117' ' ' LEU . 13.6 mm -70.12 -23.7 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.331 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -43.41 74.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.519 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.644 ' NE ' ' HA ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.8 -28.8 62.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.442 ' HA ' HD13 ' A' ' 101' ' ' LEU . 43.1 t80 -61.94 -48.46 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.701 0.286 . . . . 0.0 110.67 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -57.52 -33.08 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.717 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -71.42 -54.93 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.406 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.9 tt -53.58 -55.01 29.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.753 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -45.17 -36.09 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.923 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.18 -35.14 88.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.945 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.523 ' HB2' HD12 ' A' ' 59' ' ' LEU . 41.6 t80 -65.06 -22.63 67.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.981 0.419 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.07 -7.3 59.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -97.51 25.16 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.244 0.545 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.77 -3.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.021 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -80.08 155.13 75.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.611 0.243 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.483 ' HB2' ' OE1' ' A' ' 133' ' ' GLU . 21.0 Cg_exo -64.79 -20.17 64.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.649 2.233 . . . . 0.0 111.735 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.483 ' OE1' ' HB2' ' A' ' 132' ' ' PRO . 2.3 mp0 -112.58 19.51 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.207 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -44.03 -48.63 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.485 ' HA ' ' CE2' ' A' ' 138' ' ' TYR . . . -48.21 -45.55 34.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.036 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.18 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.04 -52.49 48.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 135' ' ' ALA . 2.8 p90 -65.12 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.93 -31.39 56.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.158 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.413 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.79 -32.11 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 98' ' ' LEU . 45.5 pt -97.54 -11.76 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.901 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.025 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 CA--C 1.518 -0.298 0 CA-C-O 121.26 0.442 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.4 t -98.35 129.82 48.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.566 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 p -145.5 139.36 26.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.87 -178.8 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 37.2 t -159.7 148.59 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.809 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.22 120.4 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.195 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 14' ' ' ALA . 47.4 t -80.1 156.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 13' ' ' VAL . . . -58.95 159.72 6.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.21 -30.56 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.27 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -121.47 -19.6 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.687 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.2 ptm180 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.537 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.7 -21.95 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.7 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.51 -11.76 13.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.828 0.347 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -72.76 -44.07 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.65 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -56.69 -52.67 71.82 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 54.4 Cg_endo -69.96 -19.84 34.65 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.078 1.852 . . . . 0.0 111.77 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 m -76.68 -36.08 57.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.621 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.484 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.504 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -107.53 -40.62 5.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 133.88 141.87 4.6 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.0 -13.1 21.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.396 2.064 . . . . 0.0 112.211 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.6 mmm-85 -103.24 -45.89 4.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 26' ' ' PHE . 10.2 mp -59.8 -31.8 70.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.328 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.62 -35.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 21.7 ptm -99.7 -34.0 10.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.486 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 79.5 mtp180 -68.02 -17.36 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.596 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.43 -41.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.679 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' HG21 ' A' ' 38' ' ' VAL . 31.3 tt0 -58.65 -42.88 89.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.52 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -74.84 -23.98 58.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.379 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.631 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -78.2 -34.33 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.342 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 34' ' ' GLY . 6.2 m -71.66 -39.77 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -23.07 43.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.616 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -61.93 -41.15 97.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.6 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.3 m95 -78.39 -27.32 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.532 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.567 ' SD ' ' HB3' ' A' ' 96' ' ' ALA . 7.2 tpt -67.93 -46.07 72.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.063 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 10.6 ptm180 -67.26 -20.15 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 111.272 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.19 -52.68 9.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.029 0.443 . . . . 0.0 110.421 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 78' ' ' VAL . 32.1 mt -48.99 -20.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.362 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -137.41 120.07 16.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.514 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -65.63 -25.89 67.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.052 0.453 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.514 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 41.3 mmt180 -103.0 45.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -116.07 98.01 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.958 -179.391 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -76.45 -53.8 7.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.915 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.01 -178.53 44.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.418 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.95 171.34 7.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 111.357 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -89.05 93.27 9.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.37 77.53 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.455 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -48.88 137.27 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.313 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.678 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 16.6 m-85 -81.76 127.11 32.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 41.5 m-85 -120.99 141.53 50.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.58 113.32 23.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.033 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 63' ' ' GLY . 11.3 mt -88.46 149.75 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.2 m -65.55 -26.67 67.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.617 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.49 5.83 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.247 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.34 4.87 87.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.547 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -90.01 35.67 3.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.25 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 40.4 p90 -36.14 143.33 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.49 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.526 ' HB2' HG21 ' A' ' 97' ' ' THR . 8.6 p90 -137.61 172.05 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.627 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.6 mtp -122.44 143.78 49.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.33 128.05 13.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.152 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 31.1 Cg_endo -64.48 165.26 20.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.582 2.188 . . . . 0.0 111.808 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 12.0 t70 -122.26 78.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.503 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 71.7 mt -118.05 -179.44 3.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.389 0.614 . . . . 0.0 111.315 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.99 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.01 138.17 13.7 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.635 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 53.72 99.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 70' ' ' LEU . 21.9 mt -121.11 130.54 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.1 tt0 -61.46 98.31 0.08 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -121.62 106.37 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.197 0.522 . . . . 0.0 110.816 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -90.79 133.75 34.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.335 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.613 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -105.96 103.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.535 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.408 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.6 m-80 -59.98 -33.14 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.49 . . . . 0.0 109.881 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.26 -37.27 3.25 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 113.308 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.481 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -143.17 16.64 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.96 27.62 57.05 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 114.683 0.633 . . . . 0.0 114.683 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 63.1 t80 -88.45 98.27 11.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.021 0.91 . . . . 0.0 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 5.6 mpt_? -86.14 119.12 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.9 146.15 10.57 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.822 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 38.9 mt-10 -86.23 106.01 17.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.72 0.295 . . . . 0.0 110.491 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -117.74 147.91 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.7 p -65.31 159.04 24.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -62.99 -14.73 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.425 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -82.84 -57.39 3.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -72.83 -14.85 61.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.564 ' HB1' ' HE2' ' A' ' 42' ' ' MET . . . -91.65 -35.14 14.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.198 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.669 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -58.55 -20.05 44.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.935 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm -67.14 -39.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.275 0.559 . . . . 0.0 109.699 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG13 HG21 ' A' ' 141' ' ' ILE . 56.0 t -76.79 -29.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.341 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.567 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -67.52 -46.82 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.608 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.526 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -74.29 -42.41 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.565 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.602 HD11 HD11 ' A' ' 141' ' ' ILE . 31.5 mt -53.6 -51.6 62.52 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.61 -28.86 64.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.738 0.304 . . . . 0.0 111.346 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.39 -36.82 77.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.648 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 93.6 mt -62.68 -44.27 96.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.044 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.23 -34.48 90.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.97 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.31 -42.28 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.09 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 HD23 HD22 ' A' ' 37' ' ' LEU . 96.2 mt -59.33 -44.16 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.599 ' HB1' HD11 ' A' ' 117' ' ' LEU . . . -62.28 -35.68 79.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.439 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.72 -15.89 40.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.792 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.625 HD23 ' C ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 117' ' ' LEU . 16.0 mm -58.52 -21.3 17.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.609 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -43.75 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.768 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.581 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 6.5 mpt_? -61.93 -37.93 86.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.626 ' HH ' HD12 ' A' ' 141' ' ' ILE . 29.6 t80 -54.86 -52.86 61.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -54.59 -33.56 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 25.3 m-85 -67.46 -57.7 6.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.69 -52.96 62.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -47.82 -29.33 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.551 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.86 -27.63 45.33 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -73.38 -36.38 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.447 ' HB2' HG22 ' A' ' 137' ' ' ILE . . . -64.66 -12.71 49.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.394 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.74 -19.16 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.98 -5.41 64.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.319 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.436 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 21.2 m-70 -79.28 150.13 73.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.517 0.199 . . . . 0.0 110.911 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.553 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 45.1 Cg_exo -56.74 -35.87 98.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.449 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.553 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 8.3 mp0 -98.54 20.02 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 131' ' ' HIS . . . -41.34 -46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.84 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.543 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.66 76.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.629 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.447 HG22 ' HB2' ' A' ' 128' ' ' ALA . 97.1 mt -64.96 -52.14 57.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.4 -35.94 81.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.483 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.85 -30.89 62.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 110.027 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.441 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.71 -34.4 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.615 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.626 HD12 ' HH ' ' A' ' 121' ' ' TYR . 45.7 pt -94.78 -16.22 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.913 -179.783 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo . . . . . 0 CA--C 1.52 -0.22 0 CA-C-O 121.182 0.409 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.663 HG11 ' HG ' ' A' ' 60' ' ' SER . 58.9 t -99.49 128.69 50.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.268 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.41 140.93 25.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -79.65 177.06 9.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.3 t -155.49 155.64 33.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -89.32 117.94 28.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 14' ' ' ALA . 17.4 t -79.0 157.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -57.22 159.72 4.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.078 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.54 -30.86 61.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.97 0.11 55.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.381 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.451 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 24.0 mm-40 -119.24 -18.81 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 111.077 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.7 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -67.12 -28.24 67.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.304 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -77.37 -21.72 52.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.712 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -96.12 -15.46 22.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.069 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' O ' ' HB ' ' A' ' 24' ' ' THR . 14.0 t80 -65.79 -38.07 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -60.4 -56.84 31.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.529 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 32.2 Cg_endo -64.81 -18.86 63.71 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.788 1.659 . . . . 0.0 111.014 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 3.2 m -64.64 -52.61 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.215 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.63 -68.52 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.278 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.2 m-85 -46.44 -49.41 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.971 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.529 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 117.38 154.7 9.99 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.214 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.36 -8.43 12.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.339 2.026 . . . . 0.0 111.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HE ' ' HD2' ' A' ' 33' ' ' ARG . 7.9 tpt180 -100.11 -48.17 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.556 HD22 ' HD3' ' A' ' 33' ' ' ARG . 23.0 mt -62.63 -35.55 79.96 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.482 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 2.0 ptm -38.85 -29.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 25.8 ptm -103.53 -41.55 5.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.212 -0.305 . . . . 0.0 111.725 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HD3' HD22 ' A' ' 30' ' ' LEU . 17.4 ptm180 -81.86 -0.7 44.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.466 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -110.31 -49.76 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.032 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 31' ' ' MET . 4.1 mm-40 -63.2 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.32 61.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.892 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD21 ' HG ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -79.09 -35.19 42.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.701 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG23 ' SD ' ' A' ' 66' ' ' MET . 2.5 m -72.49 -39.42 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.102 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.11 52.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.481 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.1 -38.89 87.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.512 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 98.6 m95 -81.66 -31.6 32.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.439 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.568 ' HE1' ' HE2' ' A' ' 49' ' ' TYR . 13.0 tpt -68.74 -34.42 75.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -79.66 -16.64 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.695 0.283 . . . . 0.0 111.188 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.3 mtt180 -79.47 -54.38 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.792 HD21 ' HA ' ' A' ' 78' ' ' VAL . 48.3 mt -45.24 -23.16 0.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.302 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.8 t -121.68 137.99 54.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.855 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -80.24 -26.6 38.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 0.0 110.131 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.855 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 90.3 mtt180 -112.49 54.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.81 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.814 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.8 t80 -117.72 102.75 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.958 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.49 -29.28 18.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.321 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' HD23 ' A' ' 70' ' ' LEU . . . 155.44 178.51 29.74 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.58 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . . . -170.71 172.47 5.76 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.01 89.98 8.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.579 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.478 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -69.32 79.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.43 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.558 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -49.6 130.19 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.899 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.7 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.7 m-85 -81.88 129.97 34.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.439 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 49.2 m-85 -117.83 140.2 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.881 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -106.6 103.89 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.891 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.0 mt -80.89 150.17 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.663 ' HG ' HG11 ' A' ' 8' ' ' VAL . 87.1 p -65.7 -26.46 67.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' OD2' HG13 ' A' ' 8' ' ' VAL . 75.0 m-20 -75.8 -23.79 55.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 8.6 51.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.225 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.35 -47.49 12.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.493 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 8.0 m-85 64.92 130.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.451 ' HB2' HD11 ' A' ' 124' ' ' LEU . 3.9 p90 -138.12 157.5 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.37 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.533 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 37.6 mtp -110.24 143.9 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.66 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.84 112.78 9.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.209 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 50.7 Cg_exo -53.82 165.78 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.648 2.232 . . . . 0.0 112.174 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 14.3 t70 -130.59 79.12 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.107 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 51' ' ' GLY . 77.9 mt -105.76 177.54 4.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.05 -174.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.03 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.83 135.42 13.22 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.011 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 48.43 100.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 0.0 111.905 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -126.15 135.31 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.7 pt-20 -67.62 112.32 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.9 mm -124.96 106.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.699 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.549 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 43.3 mt-10 -90.01 128.95 36.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.729 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.792 ' HA ' HD21 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -104.37 104.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.729 -179.348 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.5 m-80 -62.64 -32.61 73.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.44 -36.03 2.11 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.283 -0.871 . . . . 0.0 113.012 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.2 p30 -142.1 16.15 2.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.727 0.299 . . . . 0.0 110.871 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.89 56.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.243 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 77.8 t80 -91.73 103.2 15.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.808 0.804 . . . . 0.0 111.394 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.549 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.2 ttt180 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.049 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.58 142.92 6.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.322 -0.942 . . . . 0.0 113.116 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.9 mt-10 -78.34 126.02 30.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -132.75 165.86 23.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -78.8 148.41 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -22.85 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.4 -57.18 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -66.14 -13.57 60.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.512 ' CB ' ' HE3' ' A' ' 42' ' ' MET . . . -95.42 -33.01 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.113 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.91 -18.5 57.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.031 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.12 -40.26 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 109.79 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG11 HG23 ' A' ' 141' ' ' ILE . 48.6 t -80.04 -24.49 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.359 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 42' ' ' MET . . . -71.74 -48.72 45.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.483 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.4 t -74.45 -40.72 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.33 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 124' ' ' LEU . 13.9 mt -52.82 -48.97 66.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.298 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.437 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 10.8 m-85 -62.81 -35.4 79.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.071 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -57.51 -44.58 85.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.622 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 121' ' ' TYR . 78.0 mt -57.43 -40.01 77.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.44 -33.48 86.6 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.669 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -74.62 -47.24 33.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.782 ' HG ' HD21 ' A' ' 37' ' ' LEU . 38.3 mt -55.9 -40.13 72.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.424 ' CB ' HD12 ' A' ' 117' ' ' LEU . . . -67.83 -31.99 72.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.874 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.67 -21.95 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.386 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' OE2' HD22 ' A' ' 104' ' ' LEU . 41.1 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.053 0.454 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.588 ' N ' HD13 ' A' ' 117' ' ' LEU . 21.1 mm -67.84 -16.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.34 0.591 . . . . 0.0 110.226 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.05 -44.86 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -70.82 -30.69 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.214 -179.346 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.458 ' HA ' HD11 ' A' ' 101' ' ' LEU . 27.6 t80 -59.99 -46.22 90.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.483 ' CD2' HG22 ' A' ' 118' ' ' ILE . 91.6 m-70 -59.53 -39.36 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 23.5 m-85 -60.86 -53.57 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.479 ' HB3' HD22 ' A' ' 98' ' ' LEU . 1.2 tt -56.64 -51.99 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -48.41 -28.86 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.09 -26.81 35.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.12 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -71.78 -32.85 68.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.942 0.371 . . . . 0.0 111.012 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -66.24 -12.0 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.61 -25.38 38.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.32 -4.98 90.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 111.89 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -81.76 143.06 49.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.85 -34.21 91.62 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.731 2.287 . . . . 0.0 112.474 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.2 pm0 -96.74 17.03 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.61 -38.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.52 -45.13 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 111.474 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.35 68.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.571 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.461 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.9 mt -64.49 -53.79 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -64.34 -35.88 82.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.551 0.215 . . . . 0.0 111.481 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -72.76 -30.28 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.53 -35.17 80.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.576 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.747 HG23 HG11 ' A' ' 95' ' ' VAL . 44.2 pt -92.86 -13.64 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 113.488 0.534 . . . . 0.0 113.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 127' ' ' PHE . 3.3 p -89.35 126.9 42.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.196 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.42 ' C ' HD23 ' A' ' 59' ' ' LEU . 68.1 p -146.92 139.38 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.088 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -88.42 -172.14 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 t -160.02 146.06 15.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.21 117.16 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.81 154.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 167.25 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.7 pt-20 -76.38 -28.3 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.13 -1.86 47.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 24.4 mm-40 -117.6 -19.0 9.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.774 ' NH2' ' HA ' ' A' ' 55' ' ' HIS . 13.4 ptm180 -67.77 -26.76 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.382 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -85.43 -21.66 28.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 11.7 t70 -97.39 -14.52 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' HB3' ' HE2' ' A' ' 56' ' ' TYR . 4.8 t80 -72.86 -30.95 64.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.5 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.828 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 0.9 OUTLIER -56.52 -57.36 23.9 Favored Pre-proline 0 N--CA 1.456 -0.157 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.495 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -67.88 -15.66 44.23 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.176 1.917 . . . . 0.0 111.406 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 4.6 m -67.71 -38.64 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -126.96 -69.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.225 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.15 -37.33 0.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.984 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 112.53 149.33 10.78 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 30.0 Cg_endo -63.63 -11.23 25.29 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.391 2.061 . . . . 0.0 112.016 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.64 ' HD3' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.89 -38.38 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.675 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.64 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.1 tp -71.64 -32.61 68.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.828 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.8 ptm -34.7 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 ptp -108.52 -35.74 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 61.4 mtt180 -74.69 -3.73 33.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.065 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -119.41 -44.54 0.47 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.184 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.757 ' HG3' ' HE2' ' A' ' 66' ' ' MET . 35.8 tt0 -60.45 -31.54 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.594 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -77.8 -21.33 51.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.74 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -82.11 -36.73 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.573 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.33 -37.59 71.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -25.27 43.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.66 -35.47 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.8 m95 -81.07 -31.74 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.586 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 2.0 tpt -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.549 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -21.49 40.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.356 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.5 mtt180 -75.29 -56.72 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.835 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.732 HD22 ' HA ' ' A' ' 78' ' ' VAL . 36.5 mt -47.11 -19.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.327 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.4 t -117.91 141.99 47.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.929 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.38 -29.15 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.228 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' H ' ' HG ' ' A' ' 46' ' ' CYS . 7.9 ptp180 -112.58 54.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.08 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -116.87 97.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.919 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.08 -40.21 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.0 166.01 33.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.439 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -152.1 152.53 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 0.0 111.219 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 91.07 3.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.944 0.402 . . . . 0.0 111.838 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -63.84 139.19 58.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.385 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.774 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.8 m-70 -118.96 120.97 38.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.635 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.668 ' HH ' HD11 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -74.8 127.19 32.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.958 0.409 . . . . 0.0 110.99 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.507 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.9 m-85 -121.67 140.12 52.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.213 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.692 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.33 114.39 27.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD11 ' O ' ' A' ' 63' ' ' GLY . 13.9 mt -89.11 152.45 21.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 -23.43 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.364 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.71 -5.15 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.93 68.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.261 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.558 ' O ' HD11 ' A' ' 59' ' ' LEU . . . -93.58 34.3 4.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.405 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.692 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 18.8 m-85 -30.48 134.37 0.06 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.603 0.361 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' HB2' HG21 ' A' ' 97' ' ' THR . 11.3 p90 -138.29 -178.13 5.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.757 ' HE2' ' HG3' ' A' ' 35' ' ' GLU . 56.1 mtp -136.84 148.76 47.31 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.748 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.66 133.88 11.32 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.545 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 45.5 Cg_endo -67.81 169.22 16.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.684 2.256 . . . . 0.0 112.156 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.566 ' C ' HD23 ' A' ' 70' ' ' LEU . 24.2 t70 -114.68 92.12 3.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 69' ' ' ASP . 3.0 mm? -133.94 112.0 10.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.07 109.37 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -157.76 23.55 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.834 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -110.95 116.88 31.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.012 0.434 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -114.71 124.69 52.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.127 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.94 106.29 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -116.31 111.34 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.21 124.3 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.623 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.732 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.8 t -103.54 102.77 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.419 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.84 -36.7 59.54 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.577 0.227 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.38 -24.1 0.34 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.053 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -144.4 8.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.24 12.34 57.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.878 -0.601 . . . . 0.0 113.218 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -81.47 95.86 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.983 0.391 . . . . 0.0 111.579 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 112.79 22.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.79 135.35 3.57 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.75 -1.214 . . . . 0.0 113.847 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.404 ' HA ' ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -66.74 150.4 49.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.094 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 15.5 tp -163.16 144.99 9.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.919 0.39 . . . . 0.0 111.12 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -66.5 159.37 27.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.623 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . . . -66.99 -12.04 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.214 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.441 ' O ' HD11 ' A' ' 94' ' ' ILE . 12.9 t70 -89.22 -26.37 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.731 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -105.51 -13.07 15.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.13 -38.9 9.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.654 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.576 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -56.91 -27.82 57.0 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.239 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' A' ' 128' ' ' ALA . 4.0 mm -62.51 -35.59 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 109.846 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.547 HG13 HG23 ' A' ' 141' ' ' ILE . 47.6 t -81.58 -28.25 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.25 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.55 -47.29 70.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.414 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.1 t -72.53 -42.35 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.44 -48.94 68.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.022 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.31 -30.71 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -68.33 -41.23 81.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.37 -39.29 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.935 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.92 -21.94 76.9 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.018 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.572 ' CD ' HD13 ' A' ' 37' ' ' LEU . 17.0 tt0 -83.91 -49.48 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -39.99 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.748 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -63.31 -32.7 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.69 -8.35 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.293 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.672 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.918 0.39 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.625 ' N ' HD12 ' A' ' 117' ' ' LEU . 8.5 mm -63.44 -34.56 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -43.24 63.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.839 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 117' ' ' LEU . 2.0 mpt_? -54.93 -37.04 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.017 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -67.12 -53.47 30.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -54.39 -36.66 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.424 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -75.04 -54.06 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.669 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.73 -56.3 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.792 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -45.71 -39.36 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.48 84.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.992 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.418 ' HA ' HG11 ' A' ' 8' ' ' VAL . 24.5 t80 -65.27 -35.86 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.547 ' HB3' HG21 ' A' ' 94' ' ' ILE . . . -73.66 -2.93 25.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.589 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.74 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.18 4.07 67.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.759 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.92 150.61 65.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 -31.08 94.9 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.583 2.189 . . . . 0.0 112.155 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -100.82 17.85 21.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.06 2.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -55.27 -44.85 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.587 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.42 69.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.745 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.486 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -67.18 -52.15 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.4 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.4 p90 -63.69 -36.06 82.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.519 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -72.99 -29.23 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -70.54 -33.43 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.708 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.547 HG23 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -94.82 -7.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo . . . . . 0 C--O 1.231 0.144 0 N-CA-C 113.154 0.405 . . . . 0.0 113.154 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 61' ' ' ASP . 8.3 t -66.81 121.25 15.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.314 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.533 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 74.3 p -138.44 138.78 38.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.822 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 170.47 13.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -156.89 158.21 36.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.49 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 55' ' ' HIS . 1.5 mt -90.18 123.46 34.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.119 0.485 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.25 152.64 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.198 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 153.43 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.85 -31.35 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.277 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.31 -1.79 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -121.16 -15.27 8.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 111.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -69.86 -25.24 63.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.556 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -71.35 -21.68 62.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.619 0.247 . . . . 0.0 111.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.7 t70 -107.8 -11.23 15.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.64 -42.36 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.682 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.563 HD23 ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -57.32 -52.46 74.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.729 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 58.6 Cg_endo -71.9 -17.1 29.1 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.337 2.025 . . . . 0.0 112.482 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 HG21 ' HD1' ' A' ' 25' ' ' TYR . 3.0 m -82.61 -35.46 27.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.128 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' HD1' HG21 ' A' ' 24' ' ' THR . 6.6 m-85 -101.66 -22.3 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -108.69 -41.17 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 0.0 110.577 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.38 140.28 4.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 20.3 Cg_endo -60.24 -17.29 45.51 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.465 2.11 . . . . 0.0 112.419 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -102.5 -36.39 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.129 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.0 mp -70.46 -35.06 73.09 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.545 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.9 ppp? -34.49 -41.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 mtm -86.95 -47.02 9.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.883 0.373 . . . . 0.0 111.581 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' HD21 ' A' ' 104' ' ' LEU . 25.6 mmm180 -70.84 -5.7 32.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.683 ' HA2' HD13 ' A' ' 104' ' ' LEU . . . -109.53 -46.79 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 38' ' ' VAL . 11.7 pt-20 -60.73 -35.97 77.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 0.0 109.847 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.5 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.831 HD23 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -79.86 -35.97 37.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.785 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 39' ' ' TYR . 3.5 m -67.77 -42.33 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.551 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.59 -23.38 59.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.457 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.27 94.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.4 m95 -80.27 -34.14 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.586 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 0.3 OUTLIER -64.45 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.94 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.544 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -82.79 -12.26 57.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.692 0.282 . . . . 0.0 111.56 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -86.52 -52.84 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' HB3' HG23 ' A' ' 76' ' ' ILE . 15.4 mt -46.32 -24.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.564 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.694 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.2 t -127.94 130.07 47.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.788 0.328 . . . . 0.0 110.621 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.671 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -71.23 -26.08 62.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.671 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 46.4 mtp180 -109.78 49.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.694 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -115.28 95.88 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.975 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -77.44 -46.8 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.68 -171.01 35.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.75 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -177.67 179.56 0.9 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.013 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -87.4 95.58 10.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.038 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 78.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.343 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' HB3' HD22 ' A' ' 12' ' ' LEU . 85.9 m-70 -50.93 133.41 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.132 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 14.9 m-30 -83.5 124.88 31.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.944 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.5 m-85 -115.2 142.12 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.685 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 104.24 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 12.3 mt -74.96 145.84 42.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.9 t -64.76 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' HB2' HG23 ' A' ' 8' ' ' VAL . 8.7 m-20 -150.62 10.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.645 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -106.64 11.55 42.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 64' ' ' PHE . . . 79.44 -81.92 1.42 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.632 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 13.0 p90 177.97 142.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.586 ' HB2' HD11 ' A' ' 124' ' ' LEU . 1.4 p90 -135.94 150.44 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.563 ' SD ' HD23 ' A' ' 22' ' ' LEU . 22.6 mtm -112.94 144.87 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.963 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.06 136.51 15.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 32.8 Cg_endo -64.12 162.84 28.03 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.627 2.218 . . . . 0.0 112.289 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 20.0 t70 -111.11 85.94 2.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.184 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 25.7 mt -144.02 156.01 44.23 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.04 164.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.669 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.18 173.47 44.57 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.869 -1.158 . . . . 0.0 112.782 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 7.5 mpt_? 59.22 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.089 0.471 . . . . 0.0 110.581 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 73' ' ' ARG . 70.9 mt -133.16 130.53 39.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.587 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.7 mt-10 -56.56 108.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.5 mm -128.57 106.25 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.325 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 10.7 pt-20 -84.79 103.79 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.319 0.58 . . . . 0.0 109.866 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 140' ' ' ALA . 16.8 t -81.16 92.91 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.18 -34.39 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.74 -26.7 0.29 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.112 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -151.99 13.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.61 17.89 69.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.385 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.538 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 33.4 t80 -80.07 90.29 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.056 0.428 . . . . 0.0 111.397 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -78.85 106.4 10.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.84 144.31 10.59 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.531 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 42.8 mt-10 -81.36 109.08 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 91' ' ' ALA . 13.6 tp -117.02 155.66 28.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.19 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -76.87 156.76 31.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -24.31 57.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.08 -57.22 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . . . -70.19 -12.72 61.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.33 -38.14 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.525 ' O ' HG21 ' A' ' 97' ' ' THR . . . -58.95 -19.21 43.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.345 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.494 HG21 ' HB1' ' A' ' 128' ' ' ALA . 2.6 mm -70.58 -43.66 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.541 HG13 HG21 ' A' ' 141' ' ' ILE . 43.2 t -74.66 -21.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -76.25 -48.92 18.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.349 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.525 HG21 ' O ' ' A' ' 93' ' ' GLY . 3.2 t -71.25 -40.33 71.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 124' ' ' LEU . 24.2 mt -58.54 -50.41 73.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.357 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.413 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 2.8 m-85 -58.06 -35.34 71.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.743 0.306 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -66.68 -39.65 88.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 97' ' ' THR . 88.7 mt -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.77 82.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.195 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.3 -47.94 21.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.795 0.297 . . . . 0.0 111.164 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.831 ' HG ' HD23 ' A' ' 37' ' ' LEU . 93.5 mt -61.0 -45.88 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.98 -35.06 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.41 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.28 -9.12 34.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.743 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.893 0.378 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 117' ' ' LEU . 6.3 mm -55.63 -29.04 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.197 0.522 . . . . 0.0 110.207 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -46.57 79.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.174 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 6.3 mmt180 -51.8 -39.18 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.085 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.412 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.5 t80 -71.66 -54.53 10.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.067 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -53.06 -29.66 31.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.645 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 24.2 m-85 -89.05 -51.71 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.674 0.273 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 65' ' ' TYR . 4.9 tt -50.07 -57.98 6.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -47.47 -38.03 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.724 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.0 80.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.7 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.533 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 81.0 t80 -64.63 -38.41 90.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -65.16 -11.46 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.599 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.56 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.21 2.01 80.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.407 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -75.09 149.5 85.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.626 0.251 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.13 -10.21 26.38 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.736 2.291 . . . . 0.0 112.442 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -129.77 20.1 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.64 1.53 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.563 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.48 -43.91 45.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -76.35 -39.85 52.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.836 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 128' ' ' ALA . 84.6 mt -62.71 -55.8 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.7 p90 -63.43 -34.36 77.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.565 0.222 . . . . 0.0 111.515 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 12.7 ptm180 -74.72 -28.55 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.446 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.94 -35.29 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.592 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.541 HG21 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -91.06 -10.4 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.997 179.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo . . . . . 0 CA--C 1.517 -0.338 0 CA-C-O 121.527 0.553 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 HG13 ' OG ' ' A' ' 60' ' ' SER . 50.2 t -107.14 136.27 42.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.69 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.1 p -146.53 140.84 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.607 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . . . -88.07 179.68 6.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.479 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.2 t -151.89 152.19 32.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 13' ' ' VAL . 2.8 tm? -86.33 133.76 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.728 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' N ' HD11 ' A' ' 12' ' ' LEU . 60.9 t -101.89 144.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.344 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -48.01 148.25 1.78 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.4 pt-20 -70.53 -22.37 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.73 2.32 38.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.72 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 18.2 mm-40 -119.14 -20.61 7.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.091 0.472 . . . . 0.0 110.499 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.672 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 28.1 ptt180 -72.66 -17.47 61.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.161 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.608 HD11 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.47 -22.6 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.508 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.608 ' N ' HD11 ' A' ' 19' ' ' LEU . 18.9 t70 -120.13 -18.4 8.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.75 -38.42 90.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.679 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.78 -53.46 43.18 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.064 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HB2' ' HA ' ' A' ' 28' ' ' PRO . 58.5 Cg_endo -71.18 -14.96 31.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.388 2.059 . . . . 0.0 112.442 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -80.39 -32.3 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.701 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -107.42 -27.25 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.617 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' O ' HD21 ' A' ' 30' ' ' LEU . 1.4 t80 -97.57 -42.68 7.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.72 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . 140.33 136.73 3.37 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.495 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 15.6 Cg_endo -57.23 -19.12 32.89 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.527 2.151 . . . . 0.0 111.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -97.95 -39.86 8.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 179.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.72 HD21 ' HA3' ' A' ' 27' ' ' GLY . 1.5 mm? -69.36 -35.57 75.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.539 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.86 -39.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.8 ptm -101.73 -36.72 8.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.853 0.359 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 30.1 mmm180 -71.8 -12.29 61.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.315 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -104.15 -44.97 1.53 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.081 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.7 pt-20 -60.01 -36.09 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 0.0 110.074 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.56 -19.15 60.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.883 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 2.2 mt -84.41 -41.07 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.806 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 35' ' ' GLU . 4.4 m -61.81 -36.62 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.406 . . . . 0.0 110.369 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.416 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.89 -22.99 36.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.256 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.03 93.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.835 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.437 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 92.0 m95 -78.72 -32.91 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.68 ' HE2' ' HB2' ' A' ' 92' ' ' ALA . 9.9 tpt -63.62 -43.84 95.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 15.5 ptm180 -68.74 -18.44 64.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 39.5 mtp180 -81.6 -19.81 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 110.666 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 65.9 mt -80.91 -25.96 37.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.377 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.964 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -123.28 152.59 41.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.297 . . . . 0.0 110.3 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.48 -18.95 25.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.544 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -117.92 12.64 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 111.503 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.964 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.1 t80 -67.47 93.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.621 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.488 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -72.96 -25.12 60.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.599 179.077 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.79 130.98 6.25 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.76 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.37 -164.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -93.07 102.59 14.92 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.76 79.3 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 56.9 m-70 -50.35 134.6 23.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.672 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 17.9 m-30 -78.16 133.0 37.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.236 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 43.2 m-85 -121.36 145.66 47.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.9 95.36 5.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.678 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.8 mt -70.17 151.34 45.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.464 ' OG ' HG13 ' A' ' 8' ' ' VAL . 79.2 p -67.51 -29.16 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.208 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.484 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . 81.8 m-20 -72.31 -19.93 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.01 20.64 30.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.18 -42.11 5.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.38 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.7 m-85 64.74 126.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' HB2' HG22 ' A' ' 97' ' ' THR . 3.9 p90 -136.42 161.32 36.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.239 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.543 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 66.6 mtp -114.22 134.09 55.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' CE2' ' A' ' 65' ' ' TYR . . . -127.16 130.65 23.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.25 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.86 155.75 58.1 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.455 2.103 . . . . 0.0 111.712 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 20.6 t70 -101.77 87.71 3.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.179 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.626 ' HB2' HD13 ' A' ' 74' ' ' LEU . 93.3 mt -143.55 118.95 10.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.998 0.428 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.95 113.76 27.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.11 -159.38 27.03 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.623 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -100.27 104.1 15.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 110.538 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 70' ' ' LEU . 52.8 mt -91.99 98.96 11.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.548 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 41.0 tt0 -65.98 93.52 0.2 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.511 HD12 ' HB2' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -97.48 154.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.115 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -130.17 91.39 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.75 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.98 98.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.963 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 44' ' ' ARG . 2.0 m-80 -69.77 -37.13 76.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 0.0 111.161 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.98 -24.52 0.53 Allowed Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.725 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 83' ' ' PHE . 29.1 p30 -142.75 5.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.992 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.29 18.79 65.64 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.731 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.507 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 13.6 t80 -86.78 100.08 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.511 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -82.87 106.09 14.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.12 137.65 8.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.622 -1.275 . . . . 0.0 114.199 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.548 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 33.9 mt-10 -89.72 118.85 29.63 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -138.7 167.53 21.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 0.0 111.453 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -75.55 -168.89 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.151 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -90.78 -21.46 21.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 -57.95 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.48 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.596 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.68 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -98.37 -33.66 10.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.416 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.593 ' O ' HG21 ' A' ' 97' ' ' THR . . . -61.77 -22.75 62.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.385 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -64.91 -40.99 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.517 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 141' ' ' ILE . 44.3 t -77.39 -28.49 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.787 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.539 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -69.04 -48.81 61.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -77.21 -40.2 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.2 tp -50.5 -55.68 14.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HE1' HG22 ' A' ' 141' ' ' ILE . 22.7 m-85 -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.651 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -65.05 -42.98 93.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.306 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.81 -26.36 71.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.857 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.17 -45.29 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.67 0.271 . . . . 0.0 111.041 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 37' ' ' LEU . 34.8 mt -59.14 -45.98 89.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' A' ' 117' ' ' LEU . . . -57.28 -35.08 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.441 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.17 37.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.684 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.347 -179.644 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.615 HD11 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.096 0.474 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.615 ' N ' HD11 ' A' ' 117' ' ' LEU . 9.8 mm -63.07 -29.76 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -45.42 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.884 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -57.72 -39.49 77.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.68 -50.41 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.589 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -63.22 -31.42 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 61' ' ' ASP . 19.9 m-85 -66.01 -56.85 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.714 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 65' ' ' TYR . 34.5 tp -61.54 -41.6 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.51 HH11 HD21 ' A' ' 98' ' ' LEU . 15.8 tpt180 -42.08 -34.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 129' ' ' ALA . . . -52.49 -43.14 58.35 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.393 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.425 ' C ' ' H ' ' A' ' 129' ' ' ALA . 41.2 t80 -57.84 -40.81 80.95 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.594 ' HA ' ' CD2' ' A' ' 131' ' ' HIS . . . -83.77 21.62 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.843 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 126' ' ' GLY . . . -120.87 11.89 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.42 14.28 0.12 Allowed Glycine 0 CA--C 1.516 0.114 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.587 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.615 ' H ' ' ND1' ' A' ' 131' ' ' HIS . 0.0 OUTLIER -61.8 140.05 95.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.75 -15.94 21.16 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.548 2.165 . . . . 0.0 110.156 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -111.53 17.57 19.91 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.326 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.614 ' HB1' ' ND1' ' A' ' 131' ' ' HIS . . . -32.56 -47.24 0.15 Allowed 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.441 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -45.12 -51.1 10.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.938 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.74 ' HA ' ' HE ' ' A' ' 139' ' ' ARG . . . -73.07 -41.16 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.93 -50.19 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 134' ' ' ALA . 1.9 p90 -64.83 -41.14 95.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.74 ' HE ' ' HA ' ' A' ' 136' ' ' ALA . 29.1 ptt180 -71.48 -25.83 62.44 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.832 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.429 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -77.21 -35.7 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.944 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.636 HG22 HG12 ' A' ' 95' ' ' VAL . 2.8 pp -85.98 -17.75 9.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.365 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -96.63 176.79 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.5 p -110.2 -10.16 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 5' ' ' GLU . 1.4 pt-20 -124.08 -93.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' A' ' 4' ' ' GLU . 44.2 mt-10 -65.51 177.84 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.61 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -110.33 138.45 20.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.3 Cg_exo -69.14 6.28 1.16 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.931 2.42 . . . . 0.0 112.787 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' H ' ' C ' ' A' ' 6' ' ' GLN . 30.6 t -84.02 130.55 35.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.151 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.483 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 75.6 p -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.29 168.31 19.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -148.59 160.78 42.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.27 117.63 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.018 0.437 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 148.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.69 152.39 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.384 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 11.9 pt-20 -74.83 -29.54 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.11 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.71 -3.73 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.93 -17.0 9.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HB2' ' CD2' ' A' ' 56' ' ' TYR . 17.3 ptm180 -70.69 -20.21 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -25.55 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.624 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 14.4 t70 -113.54 -15.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.397 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.68 -41.46 96.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.598 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -62.76 -54.25 49.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.072 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 56.1 Cg_endo -70.05 -12.84 33.11 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.231 1.954 . . . . 0.0 112.296 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 m -86.87 -33.45 19.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -98.26 -27.07 14.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.467 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -104.37 -44.34 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.395 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 142.89 140.34 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.162 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -58.42 -18.24 37.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' HE ' ' NE ' ' A' ' 33' ' ' ARG . 7.7 tpt180 -101.27 -35.45 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.247 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 26' ' ' PHE . 87.8 mt -72.38 -28.69 63.17 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.536 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.28 -36.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.2 ptp -97.62 -36.76 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.508 ' NE ' ' HE ' ' A' ' 29' ' ' ARG . 98.9 mtt180 -65.27 -21.51 66.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.521 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -102.42 -41.76 2.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.996 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -57.75 -40.03 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.334 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.31 -23.95 54.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.677 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.813 HD23 ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.71 -35.39 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 34' ' ' GLY . 3.6 m -70.94 -41.47 77.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' N ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.45 -26.15 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.593 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.26 96.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.735 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.565 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.9 m95 -76.22 -32.62 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.558 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 6.5 tpt -60.57 -52.43 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.585 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -62.36 -9.17 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.461 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.37 -34.09 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 HG13 ' A' ' 78' ' ' VAL . 19.1 mt -67.72 -29.95 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.8 t -124.09 133.88 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.697 0.284 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.78 -25.73 56.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -112.64 49.79 0.91 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.784 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -112.81 94.4 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.296 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.581 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -68.84 -58.78 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.08 -172.99 42.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 68' ' ' PRO . . . -177.58 179.89 0.88 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.97 100.04 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.95 79.29 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.554 ' HA ' HH22 ' A' ' 18' ' ' ARG . 90.5 m-70 -49.55 145.02 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 11.4 m-30 -89.06 128.77 35.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 49.6 m-85 -117.96 141.86 47.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 131.72 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.52 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 124' ' ' LEU . 16.6 mt -110.55 141.8 43.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.056 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.4 m -78.2 -12.73 60.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.855 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.52 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 1.4 p30 -69.19 -21.38 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.1 4.23 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.338 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.29 5.79 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 28.1 p90 -177.27 156.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.62 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -139.15 158.33 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.263 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.449 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 14.7 mtm -118.16 141.46 48.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.62 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.42 126.93 19.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 38.6 Cg_exo -59.41 161.8 16.23 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.463 2.109 . . . . 0.0 111.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 89.42 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.28 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB2' HD11 ' A' ' 74' ' ' LEU . 95.5 mt -142.18 113.81 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.981 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 113.81 25.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -159.68 26.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.608 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -97.22 102.21 13.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' ' 70' ' ' LEU . 85.1 mt -88.62 105.02 17.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.099 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 42.5 tt0 -65.66 88.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 45' ' ' LEU . 5.1 mm -106.14 105.17 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.644 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.08 101.05 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.227 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.69 HG13 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 115.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.754 -179.059 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.35 -30.34 64.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.076 0.465 . . . . 0.0 109.85 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.97 -35.72 8.25 Favored Glycine 0 C--N 1.333 0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.226 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.52 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.1 p30 -140.76 12.4 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.982 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 26.17 59.45 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 114.134 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.532 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 44.3 t80 -84.5 103.7 13.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 117.741 0.77 . . . . 0.0 111.185 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -89.67 113.07 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.394 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.11 141.14 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.687 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 44.8 mt-10 -80.29 124.13 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -123.63 169.26 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -86.05 160.22 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.733 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.537 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.38 -26.59 42.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.62 -57.79 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.725 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.54 60.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.742 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.558 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -95.46 -34.08 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.217 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.46 -20.63 59.15 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.419 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.19 -45.82 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.269 0.557 . . . . 0.0 110.284 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 141' ' ' ILE . 22.7 t -71.91 -27.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.547 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -71.46 -48.09 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.751 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 93' ' ' GLY . 4.3 t -72.85 -39.66 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.403 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.2 mt -56.58 -51.98 66.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.432 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.1 m-85 -57.16 -32.01 65.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.481 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -67.12 -41.7 85.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.97 -43.06 91.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.39 72.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.265 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -85.45 -45.29 11.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.877 0.339 . . . . 0.0 111.271 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.813 ' HG ' HD23 ' A' ' 37' ' ' LEU . 28.3 mt -61.99 -37.59 85.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.59 ' HB3' HD23 ' A' ' 117' ' ' LEU . . . -63.04 -37.65 88.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.358 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.34 -9.46 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.886 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -81.75 -31.22 32.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 114' ' ' ALA . 39.2 pt -88.33 18.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.161 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 60.25 -173.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -73.69 97.32 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.0 p -136.68 166.02 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.15 -21.65 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 117' ' ' LEU . . . -88.6 -12.75 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -74.65 -7.53 53.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.75 -13.42 10.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.595 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.9 -49.42 15.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -68.83 -17.12 63.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 117' ' ' LEU . 9.7 mm -62.16 -31.38 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.77 -45.81 70.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.944 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 8.2 mpt_? -57.14 -38.45 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.99 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.63 -52.01 66.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -65.35 -32.67 74.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.435 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 10.2 m-85 -65.68 -52.2 53.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 59' ' ' LEU . 54.4 tp -67.85 -43.98 78.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.29 -35.98 13.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.335 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.7 -31.17 60.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.649 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.61 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 35.2 t80 -69.84 -30.81 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 137' ' ' ILE . . . -61.33 -23.53 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.924 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.31 58.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.85 -8.0 87.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 21.1 m-70 -81.25 146.82 59.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.617 0.246 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 25.1 Cg_exo -62.83 -21.85 73.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.677 2.251 . . . . 0.0 111.946 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.3 15.45 28.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.605 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.17 -45.39 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.06 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.437 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.77 -47.71 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.798 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -73.58 -38.4 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.402 HG21 ' HB2' ' A' ' 128' ' ' ALA . 92.3 mt -65.17 -52.87 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.58 -36.17 83.35 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 14.4 ptm180 -73.19 -28.17 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 109.963 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.418 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.72 -34.42 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.513 HG21 HG11 ' A' ' 95' ' ' VAL . 47.5 pt -93.77 -13.75 8.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' C ' HD21 ' A' ' 2' ' ' ASN . 0.2 OUTLIER -148.33 -172.89 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.458 HG22 ' HG2' ' A' ' 4' ' ' GLU . 9.7 t -142.61 -28.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HG2' HG22 ' A' ' 3' ' ' THR . 7.5 mm-40 -95.95 152.79 18.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -151.21 118.67 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.648 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.626 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 11.1 pt20 -85.15 153.01 59.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.34 -18.54 20.43 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.549 2.166 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.626 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 64.6 t -67.07 130.33 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.28 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.494 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 81.3 p -145.55 140.34 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.11 177.14 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.008 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.2 t -161.87 160.75 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.66 118.72 30.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.12 153.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -51.85 152.05 3.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -65.43 -31.94 73.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.61 -2.81 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.549 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.9 mm-40 -111.69 -16.97 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 13.8 ptm180 -71.96 -27.36 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 20' ' ' ASP . 3.8 pp -71.39 -27.09 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 18.0 t70 -101.97 -9.42 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.1 t80 -62.53 -38.72 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.171 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 4.0 mm? -58.68 -58.35 19.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.181 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 35.6 Cg_endo -66.56 -10.41 27.77 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 121.85 1.7 . . . . 0.0 111.234 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 2.7 m -76.15 -39.09 55.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.069 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' HE2' ' HE ' ' A' ' 120' ' ' ARG . 12.3 t80 -122.46 -71.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.665 ' HD2' ' HB3' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -41.72 -38.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.486 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 114.63 145.87 8.96 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 17.8 Cg_endo -59.6 -12.84 18.89 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.408 2.072 . . . . 0.0 111.975 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -99.9 -43.74 6.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.587 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HB3' ' HD2' ' A' ' 26' ' ' PHE . 10.9 mp -68.38 -28.32 67.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.474 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.4 ptm -32.66 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.551 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.4 ptt? -101.39 -36.34 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.705 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 74.5 mtp180 -67.26 -21.36 65.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.302 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -99.95 -45.32 2.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.877 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -58.47 -36.46 73.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.88 0.372 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.41 -30.72 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.687 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.66 -33.22 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.0 m -76.4 -39.45 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.322 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -77.27 -22.49 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.5 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.18 92.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.808 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.543 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 97.4 m95 -84.02 -31.05 25.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.607 ' HE1' ' HA ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -59.47 -25.84 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.324 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -92.26 -17.52 24.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -82.38 -6.34 59.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD22 HG13 ' A' ' 78' ' ' VAL . 16.4 mt -94.23 -25.98 16.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.749 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.0 t -129.92 127.31 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.614 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.695 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.4 pt-20 -68.83 -25.19 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.695 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 62.8 mtm180 -108.12 47.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.749 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.6 t80 -115.04 95.9 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.171 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -72.51 -49.25 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.23 -172.04 35.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.25 177.44 1.53 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.685 0.279 . . . . 0.0 111.185 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.84 95.72 10.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.21 75.94 0.98 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.072 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.1 m-70 -49.67 141.11 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 24.5 m-85 -85.38 128.78 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 42.6 m-85 -115.19 139.85 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.718 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -108.45 105.65 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.957 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.5 mt -79.65 150.81 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -76.52 -5.44 47.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.94 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -97.84 -34.67 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.75 0.309 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.94 12.1 6.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.374 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.83 -53.01 4.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.224 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.718 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 29.3 m-85 65.34 124.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.955 0.407 . . . . 0.0 110.756 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.609 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 2.7 p90 -135.26 167.92 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.426 ' HG2' ' HD1' ' A' ' 56' ' ' TYR . 75.8 mtp -122.92 141.78 51.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.609 ' HB1' ' HE2' ' A' ' 65' ' ' TYR . . . -135.58 130.63 18.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.657 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 31.2 Cg_endo -64.71 161.84 34.13 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 23.1 t70 -103.73 84.39 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.803 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 63.0 mt -137.46 109.86 7.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 111.53 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.511 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.29 -173.44 22.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.632 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.89 116.36 29.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.262 0.553 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 70' ' ' LEU . 3.0 mp -118.92 127.45 53.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 71.9 mm-40 -68.26 107.53 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.534 HD12 ' HB2' ' A' ' 46' ' ' CYS . 2.1 mm -114.78 106.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.025 0.44 . . . . 0.0 111.025 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 8.3 pt-20 -94.29 96.54 9.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.635 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG13 HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -71.91 104.53 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.663 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -62.29 -32.39 73.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.34 -35.73 2.8 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.984 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p30 -141.08 13.61 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.92 0.39 . . . . 0.0 110.728 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.15 29.11 59.37 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.873 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.553 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 72.0 t80 -89.87 101.11 13.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 117.649 0.724 . . . . 0.0 111.074 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -85.5 115.03 22.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.55 145.56 9.14 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.706 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.513 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 9.0 pt-20 -79.13 127.47 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 91' ' ' ALA . 17.4 tp -138.51 150.9 46.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 t -71.21 158.24 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . . . -61.27 -18.34 57.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.88 -58.16 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . . . -69.93 -15.2 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.364 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.08 13.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.367 . . . . 0.0 110.221 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.457 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.97 -17.34 43.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.183 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mm -73.42 -34.42 42.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 141' ' ' ILE . 76.4 t -82.68 -26.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.46 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -71.27 -48.67 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 111.64 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -71.73 -42.16 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.7 -47.81 79.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.488 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 3.4 m-85 -59.36 -31.72 69.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.687 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.56 -41.14 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.9 mt -57.98 -41.82 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.23 89.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.379 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.6 ' NE2' HD12 ' A' ' 37' ' ' LEU . 24.1 tt0 -77.16 -48.17 18.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.876 0.338 . . . . 0.0 111.298 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.34 -33.22 67.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.731 ' HB1' HD23 ' A' ' 117' ' ' LEU . . . -75.07 -30.35 60.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.32 -13.84 34.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.58 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.29 -42.51 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 108' ' ' ILE . 24.0 pt -85.07 117.23 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.43 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.22 124.01 27.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -82.05 12.24 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.29 -58.4 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.566 ' O ' HD11 ' A' ' 117' ' ' LEU . . . -98.1 -6.32 31.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.369 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.02 -7.69 24.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -118.77 -9.19 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.785 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.89 -52.73 6.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.976 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.731 HD23 ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -64.55 -17.38 63.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.034 0.445 . . . . 0.0 110.046 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.644 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.0 mm -65.47 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -41.22 64.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.831 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -61.15 -38.3 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.94 -48.66 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.755 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -61.46 -28.26 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -73.04 -53.5 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' A' ' 65' ' ' TYR . 47.8 tp -63.92 -44.59 92.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.058 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -47.08 -37.99 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.05 -32.55 73.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.98 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 68.8 t80 -73.55 -27.21 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.667 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' HB2' HG22 ' A' ' 137' ' ' ILE . . . -63.31 -27.22 69.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.53 -22.93 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.43 67.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -68.45 151.68 97.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.41 -12.31 35.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.473 2.116 . . . . 0.0 111.703 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -121.96 25.23 9.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.543 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -45.57 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.805 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.83 -44.53 82.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.09 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 111.733 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.41 HG22 ' HB2' ' A' ' 128' ' ' ALA . 95.9 mt -66.91 -53.03 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.2 -34.83 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.351 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.16 -31.97 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.053 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.49 -35.7 81.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.596 HG22 HG13 ' A' ' 95' ' ' VAL . 45.3 pt -94.25 -12.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.99 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.059 -179.772 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -144.59 122.57 12.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 3' ' ' THR . 4.6 m -140.66 12.46 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.72 2.28 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.351 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.14 156.7 38.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.873 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.655 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 1.7 pp0? -84.75 121.77 74.6 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.14 -14.49 38.13 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.717 2.278 . . . . 0.0 113.214 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG11 ' HB3' ' A' ' 60' ' ' SER . 48.4 t -63.9 135.16 28.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.423 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -148.94 144.26 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -85.85 178.42 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.0 t -157.23 166.94 31.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.53 HD11 ' NH2' ' A' ' 18' ' ' ARG . 15.3 tp -94.68 133.0 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -99.44 146.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 147.7 52.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 12.7 pt-20 -61.42 -31.01 70.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.457 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -114.82 -10.5 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' NH2' HD11 ' A' ' 12' ' ' LEU . 31.6 mtt180 -68.23 -31.07 70.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.5 pp -64.44 -23.3 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.274 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.627 ' N ' HD12 ' A' ' 19' ' ' LEU . 22.9 t70 -114.22 -14.52 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -64.77 -39.2 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.698 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -61.41 -54.7 50.19 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' HD2' ' C ' ' A' ' 20' ' ' ASP . 55.0 Cg_endo -70.59 -13.91 32.98 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.205 1.937 . . . . 0.0 112.228 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.0 m -81.13 -39.0 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.766 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -101.04 -25.56 14.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.434 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -103.26 -36.69 7.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 124.01 147.14 7.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.153 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.31 -17.98 49.98 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.449 2.099 . . . . 0.0 112.009 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.577 ' HE ' ' HE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -96.72 -43.37 7.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.462 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' MET . 10.2 mp -70.49 -26.94 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.567 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -30.61 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 26.1 ptm -100.15 -34.41 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.595 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HE ' ' HE ' ' A' ' 29' ' ' ARG . 39.0 mmt180 -63.45 -31.54 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.288 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -95.75 -40.81 4.02 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 13.0 tp10 -53.08 -41.79 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 110.097 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -82.36 -22.76 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.605 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.42 -39.71 77.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.33 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 39' ' ' TYR . 2.5 m -71.72 -40.25 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.28 -22.11 58.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.428 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.94 -44.4 92.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.276 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -73.63 -33.49 64.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.549 ' SD ' ' HB1' ' A' ' 96' ' ' ALA . 7.6 tpt -62.42 -45.44 93.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.514 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -68.12 -12.11 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.987 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.9 mtt180 -87.32 -19.0 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.447 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' HB3' HG21 ' A' ' 76' ' ' ILE . 7.7 mt -84.86 -25.21 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.543 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.876 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.1 t -119.57 155.53 32.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.487 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.38 -20.1 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -114.89 14.67 17.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.876 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -69.44 90.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.03 0.443 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -81.64 -21.06 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.174 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.7 173.84 20.51 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -168.06 168.19 12.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.833 0.349 . . . . 0.0 111.386 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -86.93 90.71 8.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -71.61 78.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.491 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.445 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 91.8 m-70 -54.26 146.78 14.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.426 ' CZ ' HD21 ' A' ' 22' ' ' LEU . 6.3 m-30 -92.05 135.1 34.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.022 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.3 m-85 -122.35 142.83 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.661 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.43 108.79 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 9.6 mt -86.15 154.14 21.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.59 ' HB3' HG11 ' A' ' 8' ' ' VAL . 41.2 t -62.98 -30.77 71.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.362 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' OD2' HG21 ' A' ' 8' ' ' VAL . 75.2 m-20 -84.17 -0.91 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.9 8.76 87.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.251 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -60.92 -46.65 94.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.351 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.8 t80 62.49 118.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.033 0.444 . . . . 0.0 111.432 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.529 ' HB2' HG23 ' A' ' 97' ' ' THR . 3.2 p90 -133.5 153.89 51.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.427 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 35' ' ' GLU . 34.8 mtm -114.86 142.18 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.12 139.4 31.74 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.477 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HG3' ' HE2' ' A' ' 42' ' ' MET . 42.6 Cg_endo -67.42 162.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.51 2.14 . . . . 0.0 111.77 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.599 ' C ' HD21 ' A' ' 70' ' ' LEU . 24.8 t70 -104.14 86.68 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.599 HD21 ' C ' ' A' ' 69' ' ' ASP . 2.9 mm? -139.81 105.07 5.03 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.314 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 115.51 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.11 -152.74 21.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -115.03 118.31 33.05 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 110.733 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -126.04 125.12 42.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 10.0 pt-20 -63.14 112.26 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.217 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -125.56 105.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.5 pt-20 -79.84 124.54 28.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.854 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 80' ' ' GLY . 45.5 t -90.97 90.15 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.258 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.487 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.1 OUTLIER -74.71 19.16 0.14 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.657 0.265 . . . . 0.0 111.362 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -94.01 -20.04 31.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.265 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -155.69 11.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.501 -0.349 . . . . 0.0 110.715 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.25 17.99 79.73 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.093 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 50.1 t80 -86.76 93.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.25 111.4 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.638 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.43 138.0 5.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.549 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 34.8 mt-10 -70.53 137.03 49.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.1 148.17 29.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.906 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.8 m -63.28 -170.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -88.44 -18.29 28.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.247 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -83.57 -58.68 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.731 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -65.28 -18.51 65.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.665 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB3' ' HE3' ' A' ' 42' ' ' MET . . . -93.2 -38.12 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 97' ' ' THR . . . -56.91 -20.42 33.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.418 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.46 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.149 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG13 HG22 ' A' ' 141' ' ' ILE . 39.0 t -75.2 -29.42 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -69.34 -46.53 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.546 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -73.36 -42.94 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.424 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' HG ' HD22 ' A' ' 124' ' ' LEU . 37.1 mt -55.43 -50.35 70.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.011 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.1 m-85 -57.65 -31.25 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.945 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -70.05 -40.3 75.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.002 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.71 -42.78 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.205 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.43 76.36 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.614 . . . . 0.0 113.592 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.49 ' CD ' HD11 ' A' ' 37' ' ' LEU . 9.0 tt0 -79.49 -47.73 15.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.985 0.392 . . . . 0.0 111.45 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD11 ' HA2' ' A' ' 34' ' ' GLY . 85.1 mt -56.93 -23.63 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.064 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.656 ' HB3' HD11 ' A' ' 117' ' ' LEU . . . -81.98 -35.24 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 -9.5 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -86.37 -39.72 16.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 113' ' ' ALA . 25.9 pt -73.42 -3.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 57.51 -166.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 60.5 -175.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 t -130.2 6.5 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -84.01 -67.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' HB3' HD13 ' A' ' 108' ' ' ILE . . . -81.73 -17.27 48.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -5.38 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.53 -2.75 7.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -87.88 -51.47 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' ' 105' ' ' ALA . 3.2 pp -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.007 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.4 mm -49.92 -29.35 5.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.2 OUTLIER -50.7 -41.85 56.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.899 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.459 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -59.24 -38.62 80.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.461 ' HH ' HD13 ' A' ' 141' ' ' ILE . 27.2 t80 -57.17 -55.96 27.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -57.63 -37.6 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -59.77 -56.38 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.514 HD22 ' HG ' ' A' ' 98' ' ' LEU . 61.4 tp -62.28 -46.19 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.219 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -44.09 -37.82 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.377 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.28 -34.58 75.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.997 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.655 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 41.7 t80 -67.41 -28.57 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.987 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.72 -31.14 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.93 -27.1 67.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.39 -12.18 84.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.076 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 55.9 m-70 -85.98 149.04 49.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.496 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 21.7 Cg_exo -64.88 -33.51 52.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.68 2.253 . . . . 0.0 112.083 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.496 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.2 mp0 -89.65 15.8 8.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.15 -44.42 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.186 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.28 71.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.78 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.575 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -64.82 -53.04 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -64.59 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.4 -33.07 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.319 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.433 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.07 -34.84 78.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.704 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.519 HG22 HG13 ' A' ' 95' ' ' VAL . 47.0 pt -92.51 -14.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.027 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.33 138.49 40.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 m -89.21 -33.62 16.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -82.03 172.58 13.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.689 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -134.68 153.84 51.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' CD ' ' HA3' ' A' ' 130' ' ' GLY . 4.3 pt20 -71.08 120.84 81.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.2 Cg_exo -71.72 0.14 7.48 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.874 2.382 . . . . 0.0 113.026 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -121.6 136.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.505 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.452 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 77.5 p -146.87 142.35 27.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' ' HG ' ' A' ' 59' ' ' LEU . . . -87.68 -179.56 6.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 111.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 41.2 t -157.81 165.62 34.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.718 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.74 119.8 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 14' ' ' ALA . 23.8 t -78.82 155.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -55.99 155.32 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.78 -25.93 62.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.367 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.02 -1.63 51.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.747 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm-40 -121.38 -14.87 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.658 0.266 . . . . 0.0 111.487 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 16.7 ptm180 -71.05 -21.13 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.82 -17.61 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.998 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.1 t70 -115.73 -9.57 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 7.7 t80 -72.99 -42.66 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -59.95 -51.37 81.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.738 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.543 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 57.6 Cg_endo -71.01 -16.39 32.32 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.237 1.958 . . . . 0.0 111.937 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.404 HG22 ' CD1' ' A' ' 25' ' ' TYR . 1.8 m -80.27 -32.21 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.235 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 23.7 m-85 -105.51 -20.61 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -108.78 -39.28 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.486 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.51 140.21 4.08 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.756 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 24.0 Cg_endo -61.03 -16.41 45.42 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -99.51 -34.73 10.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 8.5 mp -75.63 -28.86 58.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.543 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -31.67 -38.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.6 -31.39 10.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.392 . . . . 0.0 110.672 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 32' ' ' MET . 30.8 mmm180 -72.78 -13.59 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -108.87 -44.48 1.11 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.361 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -34.57 71.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 110.02 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.31 -21.7 45.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.15 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.664 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -78.47 -38.16 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 34' ' ' GLY . 5.1 m -68.97 -39.05 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.108 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -79.18 -19.58 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -66.27 -36.56 83.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.7 m95 -81.16 -33.01 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.717 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.917 ' HE1' ' HB3' ' A' ' 96' ' ' ALA . 42.7 tpp -65.07 -45.97 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HD2' ' CE2' ' A' ' 39' ' ' TYR . 8.6 ptm180 -65.49 -17.77 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.402 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 70.2 mtp180 -82.27 -50.45 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.712 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' A' ' 76' ' ' ILE . 33.3 mt -47.62 -25.16 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.815 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.787 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 40.5 t -121.9 146.25 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.18 -28.17 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -117.93 54.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.345 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.787 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -109.81 91.55 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -65.76 -41.51 92.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.06 -169.78 28.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.388 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -177.05 178.81 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.05 96.46 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.06 75.38 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.171 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -45.67 131.18 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.144 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.529 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 27.2 m-85 -83.67 86.42 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 60.8 m-85 -73.66 148.71 42.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.448 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 113.38 23.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' ' HB1' ' A' ' 10' ' ' ALA . 7.2 mt -86.85 151.08 23.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.0 p -73.57 -18.47 61.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -87.88 -9.86 52.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.754 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.63 7.24 63.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' ' 123' ' ' PHE . . . -102.03 42.51 1.89 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.641 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 10.9 p90 -34.88 143.66 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.551 0.341 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.539 ' HB2' HG22 ' A' ' 97' ' ' THR . 4.5 p90 -134.03 165.13 25.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.224 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.52 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 71.4 mtp -115.4 134.01 55.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.1 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . . . -132.41 128.96 21.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.417 ' CB ' ' HB3' ' A' ' 52' ' ' ALA . 46.3 Cg_endo -68.06 162.0 41.9 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -103.76 83.89 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.682 HD22 HD22 ' A' ' 74' ' ' LEU . 1.1 mp -134.9 116.94 15.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.08 107.24 18.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.43 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' A' ' 74' ' ' LEU . . . 144.53 165.5 11.07 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.752 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -61.2 94.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD22 HD22 ' A' ' 70' ' ' LEU . 28.7 mt -87.07 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.159 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 43.2 mt-10 -65.38 90.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 45' ' ' LEU . 3.5 mm -113.44 106.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.605 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -94.79 139.13 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.682 178.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.568 ' CG2' ' HB3' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -107.31 106.64 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.624 -179.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.94 -32.29 73.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 109.87 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.69 -33.17 4.62 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.281 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' ' 140' ' ' ALA . 9.0 p30 -143.43 14.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.88 29.67 59.12 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 79.6 t80 -90.19 105.76 18.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.176 0.988 . . . . 0.0 111.202 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -89.27 115.05 26.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.008 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.72 143.06 7.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.027 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.9 mp0 -80.35 135.4 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.372 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 11.4 tp -141.05 170.05 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.881 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -84.75 161.75 19.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.01 -25.03 66.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.02 -55.67 4.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.605 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.84 -6.72 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.734 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HB3' ' HE2' ' A' ' 42' ' ' MET . . . -103.32 -38.57 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.462 ' O ' HG21 ' A' ' 97' ' ' THR . . . -55.22 -29.99 53.82 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.913 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.622 HD12 HD13 ' A' ' 137' ' ' ILE . 4.3 mt -61.59 -49.27 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.232 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.655 HG12 HG21 ' A' ' 141' ' ' ILE . 59.7 t -66.52 -22.14 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.917 ' HB3' ' HE1' ' A' ' 42' ' ' MET . . . -75.35 -47.25 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.327 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 65' ' ' TYR . 2.7 t -74.6 -42.54 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HA ' HD11 ' A' ' 101' ' ' LEU . 50.8 mt -51.97 -53.41 41.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.447 ' HD1' ' O ' ' A' ' 95' ' ' VAL . 12.2 m-85 -57.54 -34.09 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.664 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.69 -36.66 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 98' ' ' LEU . 90.5 mt -58.09 -42.58 85.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.914 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.29 -34.02 61.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.028 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.07 -50.17 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.524 HD22 HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.02 -40.87 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.799 ' HB2' HD23 ' A' ' 117' ' ' LEU . . . -63.08 -36.52 83.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.82 -12.37 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.14 -33.79 50.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.416 ' O ' HG13 ' A' ' 108' ' ' ILE . 15.3 pt -93.29 101.85 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.72 85.74 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.29 -172.77 4.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.7 t -128.57 -4.01 5.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -106.86 -61.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.562 ' O ' HD11 ' A' ' 117' ' ' LEU . . . -79.26 -18.47 52.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.69 58.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 111.257 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.52 -7.99 7.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.36 -48.75 13.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.799 HD23 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -72.42 -16.86 61.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.529 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.7 mm -61.18 -34.84 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.318 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -53.12 -42.95 66.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -54.16 -38.33 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.096 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.28 -54.56 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -58.52 -34.11 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.635 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 23.1 m-30 -67.87 -54.36 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.329 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.1 tp -63.36 -45.64 90.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -46.71 -39.19 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.37 -29.68 63.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.951 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.452 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 62.9 t80 -72.53 -34.49 67.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.457 ' HB3' HG21 ' A' ' 137' ' ' ILE . . . -64.63 -15.09 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.07 -25.11 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.439 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -83.22 -6.45 87.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.119 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.87 145.35 57.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.605 0.241 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.94 -23.8 67.84 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.482 2.121 . . . . 0.0 112.118 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -100.35 15.32 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.14 -45.07 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.02 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.572 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.8 70.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.328 . . . . 0.0 111.698 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.622 HD13 HD12 ' A' ' 94' ' ' ILE . 89.6 mt -64.68 -52.92 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -65.61 -36.28 83.28 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -71.45 -32.83 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' ' 78' ' ' VAL . . . -65.99 -33.29 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.794 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.655 HG21 HG12 ' A' ' 95' ' ' VAL . 49.0 pt -92.06 -16.83 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.944 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -148.48 175.52 11.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -127.8 -5.37 5.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.67 -74.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 66.07 139.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.74 141.31 87.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.24 -0.23 5.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.832 2.355 . . . . 0.0 112.953 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' OD2' ' A' ' 61' ' ' ASP . 23.6 t -128.92 138.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.637 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 64.6 p -145.38 138.23 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.44 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -83.91 -176.28 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.3 t -157.82 149.57 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.7 tp -88.84 118.82 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.54 151.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.88 162.79 1.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -82.92 -28.9 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.72 -1.29 57.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.646 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -122.52 -18.74 6.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 6.3 ptm180 -69.91 -21.29 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.324 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.71 -23.1 63.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 17.1 t70 -114.2 -6.07 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 0.0 110.12 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.91 -41.72 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.737 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 31' ' ' MET . 4.5 mt -62.58 -54.63 46.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.457 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 45.7 Cg_endo -68.46 -13.34 37.26 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.087 1.858 . . . . 0.0 112.561 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -91.26 -41.39 10.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 89.0 m-85 -109.3 -33.27 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.2 t80 -89.87 -38.36 13.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.592 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.536 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.34 135.49 3.37 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.045 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 16.6 Cg_endo -57.29 -21.51 44.41 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.417 2.078 . . . . 0.0 112.092 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 tmt_? -95.5 -41.36 9.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.125 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 7.8 mp -65.81 -37.3 85.88 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.55 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.54 -42.54 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.668 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 19.4 ptp -99.48 -36.19 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 27.3 mmm180 -67.32 -15.49 63.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.177 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.641 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -107.14 -42.81 1.46 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.501 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.668 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.6 pt-20 -58.68 -40.15 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.96 -25.87 53.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.688 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.67 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -75.44 -34.27 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG11 ' O ' ' A' ' 34' ' ' GLY . 5.5 m -70.95 -39.5 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.46 -21.04 53.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.442 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -64.64 -37.38 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.81 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -83.23 -30.74 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.552 ' HE3' ' HG2' ' A' ' 68' ' ' PRO . 9.6 tpt -59.53 -37.92 79.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -79.03 -4.77 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.233 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.4 mtt180 -94.18 -14.85 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 76' ' ' ILE . 9.8 mt -89.39 -25.41 21.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.3 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.854 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.9 t -121.21 150.5 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 11.0 pt-20 -91.18 -20.41 22.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.334 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.566 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 98.9 mtt180 -110.43 8.14 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.346 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.854 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -66.1 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 111.047 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -76.42 -57.75 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.743 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.28 160.11 33.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -153.22 152.73 31.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 92.97 4.8 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.505 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 2.4 m0 -66.55 152.49 45.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.449 0.643 . . . . 0.0 111.495 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.582 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 94.4 m-70 -134.15 136.98 44.18 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.663 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.1 m-30 -88.36 135.27 33.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' A' ' 11' ' ' SER . 43.3 m-85 -122.0 144.37 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.652 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.675 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.19 99.57 8.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.808 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 14.6 mt -75.23 144.59 42.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 t -73.74 -11.67 60.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 2.1 p30 -81.57 -20.37 40.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.89 34.63 6.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.4 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -113.93 -41.76 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.693 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.675 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 24.7 m-85 64.38 123.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.638 ' HE2' ' HB3' ' A' ' 67' ' ' ALA . 3.5 p90 -133.09 165.59 24.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.088 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.583 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 69.2 mtp -120.93 140.67 51.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.638 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -139.89 125.27 11.58 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.36 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HG2' ' HE3' ' A' ' 42' ' ' MET . 35.3 Cg_exo -60.73 169.44 5.63 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 111.703 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 17.2 t70 -111.91 90.81 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.602 HD22 ' HB1' ' A' ' 89' ' ' ALA . 2.8 mm? -134.56 109.44 8.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.148 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.58 110.62 22.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.303 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.72 -155.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.702 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -111.62 114.03 26.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 70' ' ' LEU . 2.8 mp -113.05 126.62 55.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 45.6 mm-40 -66.91 104.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 45' ' ' LEU . 2.2 mm -115.77 105.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.234 0.54 . . . . 0.0 111.672 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' LEU . 9.9 pt-20 -84.82 102.41 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.833 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.3 t -77.12 94.41 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.302 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.32 -35.88 80.33 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.44 -25.6 0.1 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.13 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.576 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.1 p30 -151.85 11.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.27 . . . . 0.0 110.925 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.18 17.95 68.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.287 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.576 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 48.9 t80 -78.48 91.49 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.048 0.424 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -78.7 103.7 8.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.84 130.4 2.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.494 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 11.1 pt-20 -69.57 132.27 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.7 tp -144.92 157.65 44.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 111.162 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.2 p -78.61 173.31 12.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -79.49 -5.17 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.355 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' HD11 ' A' ' 94' ' ' ILE . 11.6 t70 -93.27 -24.63 18.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 110.555 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.86 -11.99 15.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.098 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.74 -36.11 9.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.93 -21.39 52.17 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.221 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.401 HD11 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -68.34 -34.7 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.199 0.523 . . . . 0.0 110.015 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.567 HG11 HG23 ' A' ' 141' ' ' ILE . 53.4 t -78.97 -33.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -64.67 -45.82 85.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.52 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.522 HG23 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -71.91 -43.8 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.446 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 141' ' ' ILE . 28.0 mt -53.03 -53.13 54.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.38 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 11.2 m-85 -57.61 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.17 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -63.78 -44.74 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.65 -41.52 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.26 -28.42 73.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.873 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.02 -47.86 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -59.05 -44.81 91.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.783 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -60.22 -34.96 74.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.45 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.41 -19.8 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.721 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 30.4 pt -129.34 29.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.02 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 114' ' ' ALA . . . -62.52 -7.88 5.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.465 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -93.45 11.28 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.0 p -133.64 -177.71 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.299 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.98 -6.46 57.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.56 5.16 44.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.098 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 108' ' ' ILE . . . -88.05 -9.34 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.332 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.42 -9.29 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.63 -52.08 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -66.48 -15.66 63.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.994 0.426 . . . . 0.0 110.123 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.589 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.9 mm -66.45 -30.93 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -37.81 59.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.462 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 6.7 mpt_? -64.27 -37.13 86.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.5 -39.12 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -24.04 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.941 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.566 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 20.9 m-85 -92.54 -50.33 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 65' ' ' TYR . 3.0 tt -50.57 -55.51 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -47.14 -41.5 17.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.779 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.37 -31.26 78.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.637 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 79.2 t80 -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 137' ' ' ILE . . . -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.463 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.43 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . . . -71.72 -24.74 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.224 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.88 -9.15 83.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -74.5 147.79 85.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 26.0 Cg_exo -62.78 -14.66 41.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.698 2.266 . . . . 0.0 112.022 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 4.3 mp0 -116.21 20.12 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.392 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 129' ' ' ALA . . . -42.44 -47.15 4.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.202 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -51.96 -47.84 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.545 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.4 78.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.651 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.476 HG22 ' HB1' ' A' ' 128' ' ' ALA . 94.3 mt -65.92 -52.54 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.71 -36.9 85.37 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.502 -178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 18.3 ptp180 -73.93 -28.8 61.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 109.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.458 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -66.61 -36.24 82.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.651 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.567 HG23 HG11 ' A' ' 95' ' ' VAL . 48.9 pt -92.3 -13.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.983 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ptp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -149.17 18.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -75.16 5.72 5.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.22 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.54 157.08 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 59.74 98.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.545 ' HB2' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -78.97 132.4 63.99 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.283 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 17.0 Cg_exo -68.67 5.34 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.733 2.288 . . . . 0.0 112.499 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 6' ' ' GLN . 3.2 t -76.22 125.16 35.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.134 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.7 p -138.39 138.99 38.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 57' ' ' TYR . . . -82.87 176.81 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -158.43 160.72 37.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 tp -93.62 120.59 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 14' ' ' ALA . 10.7 t -82.39 158.39 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -55.63 151.29 11.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.561 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.5 pt-20 -72.07 -22.06 61.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.247 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.58 6.36 37.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.561 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.53 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 23.0 mm-40 -125.82 -18.49 5.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.561 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 32.8 ptt180 -72.05 -21.75 61.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.269 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.73 -17.64 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.749 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 4.9 t70 -115.89 -9.35 11.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.898 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 21.6 t80 -80.49 -34.97 35.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.941 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.12 -50.85 66.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.291 179.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 59.1 Cg_endo -72.12 -15.49 28.86 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 0.0 111.928 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -84.11 -33.61 24.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.602 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 m-85 -100.37 -27.67 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.296 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.593 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -100.74 -45.48 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.042 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 143.17 140.49 3.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.449 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.58 -19.04 50.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.461 2.107 . . . . 0.0 112.17 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.552 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.778 HD22 HD23 ' A' ' 104' ' ' LEU . 95.4 mt -68.59 -35.37 77.27 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.563 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -30.1 -40.35 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.637 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.1 ptt? -101.38 -31.6 10.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.552 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 23.4 mmm180 -74.34 -11.75 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' HA3' ' HE2' ' A' ' 26' ' ' PHE . . . -109.78 -43.81 1.09 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.105 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.637 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.2 pt-20 -57.59 -36.25 71.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 109.779 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' O ' ' HB1' ' A' ' 40' ' ' ALA . . . -79.12 -17.09 55.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.782 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 1.6 mt -82.31 -41.85 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.922 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.95 -38.88 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -24.8 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 36' ' ' ALA . . . -62.72 -36.58 83.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -79.99 -33.87 39.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.697 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.507 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 10.7 tpt -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.65 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -64.38 -23.43 67.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.698 0.285 . . . . 0.0 111.256 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -78.02 -47.52 18.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 78' ' ' VAL . 71.6 mt -48.03 -26.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.735 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.9 t -132.41 123.74 27.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 13.1 pt-20 -65.64 -25.02 67.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.543 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 29.7 mmm180 -107.28 46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.956 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.735 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -114.73 96.2 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.966 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -71.82 -48.98 42.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . . . -178.01 -179.69 0.77 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 21.8 m-85 -91.65 96.31 10.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.478 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -78.37 77.27 4.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.249 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' MET . 92.6 m-70 -44.05 138.52 2.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.234 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.518 ' HE1' ' HE1' ' A' ' 66' ' ' MET . 7.0 m-85 -90.79 81.72 5.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.959 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 56.3 m-85 -68.48 149.7 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.55 119.15 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 63' ' ' GLY . 10.1 mt -91.57 151.66 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -67.48 -25.25 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.851 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 7.96 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.666 0.27 . . . . 0.0 111.335 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.51 2.24 87.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.705 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.553 ' O ' HD11 ' A' ' 59' ' ' LEU . . . -86.74 30.72 4.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.051 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 29.9 p90 -37.22 144.62 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.888 0.375 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.578 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 9.1 p90 -135.37 178.13 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.518 ' HE1' ' HE1' ' A' ' 56' ' ' TYR . 64.7 mtp -127.31 136.52 52.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.654 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.36 124.42 18.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.358 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 31.8 Cg_exo -58.8 158.59 23.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.577 2.185 . . . . 0.0 111.967 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.8 t70 -104.37 84.22 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 81.7 mt -134.01 105.44 6.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.06 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.43 -149.54 20.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.703 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -128.48 137.22 51.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.096 0.474 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -129.24 153.32 47.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.979 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -91.02 102.53 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.122 0.487 . . . . 0.0 111.018 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -109.92 110.93 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.187 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.714 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 35.8 mt-10 -85.57 125.63 33.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.8 t -99.82 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.96 -37.9 64.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.548 0.213 . . . . 0.0 111.309 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -44.55 -21.52 0.29 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.989 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -144.76 6.94 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.895 0.379 . . . . 0.0 110.788 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.1 13.42 59.81 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.198 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -82.85 94.84 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 111.472 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.714 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 57.8 ttp180 -82.26 110.87 17.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.4 133.83 3.61 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 119.654 -1.26 . . . . 0.0 113.801 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 31.0 mt-10 -74.33 138.2 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.8 tp -157.73 153.16 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -70.11 153.95 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.752 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.46 -12.28 5.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.484 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.15 -58.87 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -75.18 -10.71 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -94.65 -37.37 11.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.146 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.488 ' O ' HG21 ' A' ' 97' ' ' THR . . . -58.09 -20.34 42.0 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.08 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.18 -39.47 84.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 109.864 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.71 HG11 HG21 ' A' ' 141' ' ' ILE . 51.2 t -78.95 -28.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.194 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.507 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.63 -47.24 70.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.68 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -72.73 -42.39 64.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.345 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.478 HD22 HD13 ' A' ' 101' ' ' LEU . 27.9 mt -54.93 -50.66 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.01 -27.18 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -73.4 -36.47 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 98' ' ' LEU . 72.7 mt -63.95 -45.21 90.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.257 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.05 90.9 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.511 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 10.5 tt0 -80.45 -45.73 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.909 0.354 . . . . 0.0 111.343 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.778 HD23 HD22 ' A' ' 30' ' ' LEU . 27.4 tp -61.49 -33.77 74.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.738 ' HB3' HD22 ' A' ' 117' ' ' LEU . . . -71.27 -34.41 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 103' ' ' GLN . 43.9 mt-10 -59.29 -21.83 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.62 HG13 ' HB3' ' A' ' 114' ' ' ALA . 31.4 pt -129.62 24.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.4 -22.62 7.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.488 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.17 22.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.652 HG22 ' H ' ' A' ' 112' ' ' ASP . 2.5 m -142.68 172.87 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.652 ' H ' HG22 ' A' ' 111' ' ' THR . 4.5 p30 -84.73 -21.0 30.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.14 0.495 . . . . 0.0 110.552 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.64 -4.38 33.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.62 ' HB3' HG13 ' A' ' 108' ' ' ILE . . . -87.56 -6.59 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.194 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -107.57 -10.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.694 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.41 11.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -66.79 -18.25 65.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.022 0.439 . . . . 0.0 109.905 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.628 ' N ' HD12 ' A' ' 117' ' ' LEU . 7.6 mm -62.02 -33.08 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -47.56 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.515 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.1 mpt_? -53.9 -37.22 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.985 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.54 -57.33 11.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -56.64 -45.2 81.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.28 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.58 -56.91 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.19 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 65' ' ' TYR . 37.5 tp -55.34 -54.86 38.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.145 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -44.05 -41.46 5.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.21 -36.45 93.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.863 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.535 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 59.5 t80 -70.38 -28.18 64.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.37 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.89 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.98 -24.63 58.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.88 -11.84 83.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -78.51 146.35 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.561 0.22 . . . . 0.0 110.978 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.71 -21.72 69.79 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 111.728 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -103.56 17.24 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.482 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.72 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.17 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -51.93 -47.1 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.405 ' HA ' ' CD ' ' A' ' 139' ' ' ARG . . . -70.66 -37.18 73.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -66.6 -51.98 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -66.54 -36.1 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.488 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.405 ' CD ' ' HA ' ' A' ' 136' ' ' ALA . 13.2 ptm180 -72.59 -32.5 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 110.068 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.447 ' O ' HG11 ' A' ' 78' ' ' VAL . . . -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.827 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.71 HG21 HG11 ' A' ' 95' ' ' VAL . 47.5 pt -94.5 -13.82 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.793 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.954 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.709 0.29 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -60.07 151.64 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.4 p -131.29 2.78 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.44 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.73 146.16 32.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.17 141.65 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.458 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' OE1' ' HA3' ' A' ' 130' ' ' GLY . 3.3 pt20 -110.05 166.26 11.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.912 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.593 ' O ' HG21 ' A' ' 9' ' ' THR . 40.6 Cg_exo -59.1 -143.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.89 2.393 . . . . 0.0 112.535 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 7' ' ' PRO . 95.4 t -24.68 134.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.016 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 7' ' ' PRO . 27.6 p -142.34 146.92 35.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.851 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 178.04 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -161.42 161.45 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.4 119.78 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -77.54 155.81 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -54.81 165.2 0.65 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.1 -27.03 30.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.358 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.6 -3.8 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.545 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -116.28 -18.58 10.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.743 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 9.9 ptm180 -65.02 -25.79 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.469 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -77.74 -15.91 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 111.436 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.56 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.1 t70 -111.29 -14.12 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -70.51 -43.13 70.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -56.09 -53.01 68.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.681 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.532 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 55.4 Cg_endo -70.16 -15.68 35.67 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.363 2.042 . . . . 0.0 112.161 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.9 m -81.99 -32.36 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.869 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -106.73 -20.12 13.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.57 -35.7 6.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 132.8 138.24 4.05 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.476 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.9 Cg_endo -57.45 -15.94 21.52 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.683 2.255 . . . . 0.0 112.244 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -102.0 -34.36 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.467 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 30' ' ' LEU . 8.4 mp -76.27 -26.24 55.73 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.55 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 ptm -34.01 -35.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.676 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 22.6 ptp -100.92 -34.71 9.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.44 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -67.61 -17.4 64.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.971 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -106.12 -42.94 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.834 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.676 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.7 pt-20 -57.42 -37.97 73.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.61 -24.3 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.503 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -76.26 -36.49 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 ' HA ' ' HB3' ' A' ' 100' ' ' ALA . 4.8 m -70.24 -38.25 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.833 0.349 . . . . 0.0 111.178 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -24.26 48.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.58 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.593 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 90.2 m95 -78.67 -34.08 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.678 ' HE1' ' HA ' ' A' ' 42' ' ' MET . 1.8 tpt -61.73 -41.78 98.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.851 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -9.41 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.77 -179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -93.29 -43.89 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.212 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 50.8 mt -52.46 -24.89 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.813 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 37.7 t -119.32 139.87 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.229 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.789 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 9.8 pt-20 -77.6 -28.83 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.738 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.789 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 76.3 mtp180 -115.77 54.83 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.81 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -114.71 97.64 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.977 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -73.34 -47.66 40.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.51 -169.85 33.41 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.729 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -179.76 -177.1 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 29.1 m-85 -91.41 99.55 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.93 0.395 . . . . 0.0 111.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.454 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.59 77.28 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.034 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.616 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 82.8 m-70 -49.5 142.23 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.401 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.743 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 25.6 m-85 -85.86 127.64 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 47.6 m-85 -116.44 142.64 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.684 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 118.13 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.631 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.2 mt -91.43 148.31 22.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -75.8 -15.81 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.909 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' HB2' HG12 ' A' ' 8' ' ' VAL . 8.7 t70 -73.52 -21.6 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.67 -3.61 13.38 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.828 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.01 -147.53 19.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.116 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 35.4 p90 -179.58 148.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.744 0.307 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.537 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.4 p90 -136.77 160.18 39.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.5 mtp -116.26 136.66 52.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB1' ' HE2' ' A' ' 65' ' ' TYR . . . -130.62 119.1 18.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.026 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.57 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 44.6 Cg_exo -55.48 160.17 9.52 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.329 2.019 . . . . 0.0 111.663 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.478 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 19.4 t70 -101.89 88.71 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 111.281 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 91.3 mt -142.42 111.19 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.77 113.05 25.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.266 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.87 -161.9 28.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.666 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.594 ' HD3' ' OE1' ' A' ' 86' ' ' GLU . 59.6 mtt180 -101.08 108.75 20.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 70' ' ' LEU . 65.3 mt -101.78 114.57 28.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.476 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.53 ' OE1' ' HB3' ' A' ' 86' ' ' GLU . 5.2 mm-40 -72.68 86.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 46' ' ' CYS . 3.6 mm -97.85 107.47 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 0.0 111.21 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.714 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 41.2 mt-10 -92.16 102.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.552 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.613 HG13 ' HB3' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -72.47 104.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.608 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.3 23.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.901 0.382 . . . . 0.0 110.58 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -104.11 -30.89 4.92 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.552 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.44 HD22 ' HA ' ' A' ' 140' ' ' ALA . 5.2 p30 -137.57 6.91 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 110.081 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.92 24.04 72.88 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 114.236 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 48.5 t80 -85.98 92.46 8.69 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.932 0.866 . . . . 0.0 111.265 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.714 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.8 ttt180 -79.64 113.21 17.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.989 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 168.27 38.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.627 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.594 ' OE1' ' HD3' ' A' ' 73' ' ' ARG . 9.6 pt-20 -106.89 126.31 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 86' ' ' GLU . 4.0 mm? -126.94 171.31 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.2 m -86.97 165.49 15.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.843 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.99 -28.33 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' O ' HG12 ' A' ' 94' ' ' ILE . 12.9 t70 -79.88 -56.41 4.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.53 -18.04 49.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.473 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.62 -33.29 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.063 0.459 . . . . 0.0 110.14 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 97' ' ' THR . . . -63.08 -23.37 65.94 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.632 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -67.28 -48.02 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 0.0 110.139 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.94 -22.57 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.352 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.466 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -75.47 -47.91 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.558 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.537 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -75.01 -42.46 57.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.436 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 141' ' ' ILE . 46.5 mt -54.09 -53.06 58.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.68 0.276 . . . . 0.0 111.29 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 6.8 m-85 -56.29 -35.69 67.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -64.06 -38.54 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.568 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.98 -42.38 94.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.029 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.3 -32.22 68.6 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.252 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.559 ' CD ' HD13 ' A' ' 37' ' ' LEU . 49.8 tt0 -73.95 -48.6 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.837 0.318 . . . . 0.0 111.373 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.6 -40.57 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -65.68 -33.23 75.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.06 42.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.067 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.28 -55.8 27.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.418 HD11 ' CA ' ' A' ' 114' ' ' ALA . 11.1 pt -65.94 130.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.821 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -44.26 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.01 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.98 109.38 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.3 p -150.68 -173.62 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.9 -14.3 58.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' HD22 ' A' ' 117' ' ' LEU . . . -81.2 -29.77 34.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.618 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.418 ' CA ' HD11 ' A' ' 108' ' ' ILE . . . -65.64 -9.35 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -129.26 -4.38 4.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.72 -49.28 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 109.873 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 105' ' ' ALA . 1.8 pp -63.66 -32.47 73.96 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.709 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.1 mm -48.74 -28.7 2.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.669 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -47.49 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.219 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -54.21 -37.9 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.87 -60.34 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.41 -36.9 69.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -59.51 -57.63 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.195 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -45.6 -37.46 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.16 66.24 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.499 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 9' ' ' THR . 57.5 t80 -70.24 -45.57 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.353 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' A' ' 137' ' ' ILE . . . -68.79 -10.05 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.521 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.09 -19.78 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.523 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.494 ' HA3' ' OE1' ' A' ' 6' ' ' GLN . . . -111.6 13.79 27.49 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.124 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.435 ' HD1' ' HD2' ' A' ' 132' ' ' PRO . 2.6 m-70 -79.65 159.69 71.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.629 0.214 . . . . 0.0 110.68 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.481 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 19.7 Cg_endo -59.47 -26.71 82.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.58 2.187 . . . . 0.0 111.92 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.5 mp0 -113.08 19.35 17.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.708 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.5 -47.39 5.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.407 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.82 -42.91 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.767 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.91 57.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 128' ' ' ALA . 88.3 mt -65.59 -51.85 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.407 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -66.73 -34.98 79.04 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.494 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 13.7 ptm180 -74.41 -31.01 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.613 ' HB3' HG13 ' A' ' 78' ' ' VAL . . . -64.16 -32.82 74.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.699 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 98' ' ' LEU . 48.9 pt -95.44 -14.6 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 4' ' ' GLU . 2.9 t-20 -159.41 -2.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 3' ' ' THR . 8.9 m 65.46 1.26 1.61 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' ASN . 44.7 mt-10 -133.59 137.71 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.78 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.45 134.24 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.548 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 8.1 pt20 -101.18 133.3 21.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 11.6 Cg_exo -72.45 3.66 4.03 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.676 2.251 . . . . 0.0 111.869 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.548 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 40.6 t -75.49 125.89 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.466 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.514 ' H ' ' HG ' ' A' ' 60' ' ' SER . 56.6 p -142.91 139.06 30.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.948 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.09 176.51 9.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.7 t -157.47 156.14 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.2 tp -85.71 117.66 24.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -78.88 146.16 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 17' ' ' GLN . . . -54.64 150.67 9.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.51 -32.24 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.74 -5.5 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.528 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 25.5 mm-40 -112.35 -15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 17.5 ptm180 -73.38 -17.86 61.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.601 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 20' ' ' ASP . 3.7 pp -72.93 -26.11 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.519 ' N ' HD13 ' A' ' 19' ' ' LEU . 7.4 t70 -110.55 -16.29 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.558 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.1 t80 -67.29 -33.83 76.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.536 ' HG ' ' HA ' ' A' ' 31' ' ' MET . 11.8 tp -65.35 -54.7 30.01 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.977 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 51.8 Cg_endo -69.93 -10.97 29.69 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.087 1.858 . . . . 0.0 112.102 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.4 m -91.23 -39.82 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -104.47 -28.01 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' O ' HD21 ' A' ' 30' ' ' LEU . 2.4 t80 -99.78 -38.88 8.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.48 138.19 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 29.6 Cg_endo -62.94 -20.59 71.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.453 2.102 . . . . 0.0 112.224 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' NE ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -101.87 -28.4 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.91 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 9.1 mp -75.97 -33.32 59.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.536 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.1 ptm -32.67 -40.61 0.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.587 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -97.93 -40.02 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -179.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.91 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 11.5 ptm180 -71.33 -11.31 60.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.735 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -103.95 -44.07 1.69 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.771 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 12.1 pt-20 -60.04 -37.69 80.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.38 -18.6 60.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.902 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.673 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 1.8 mt -81.41 -37.2 28.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.755 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 4.1 m -70.7 -37.99 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.051 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -27.99 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -58.42 -37.96 76.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.6 m95 -82.08 -32.66 30.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.907 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 40.9 tpp -63.8 -52.59 59.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.74 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -19.32 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.9 mtp180 -84.33 -23.29 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD21 HG12 ' A' ' 78' ' ' VAL . 22.0 mt -69.81 -28.12 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.398 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 47.4 t -130.33 137.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.732 0.301 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.3 pt-20 -76.51 -25.02 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.605 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 75.8 mtp180 -109.16 48.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.022 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.682 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.2 t80 -114.66 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.206 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.32 -54.02 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.19 -173.47 42.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 68' ' ' PRO . . . -175.16 177.02 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.921 0.391 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.08 94.82 9.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.688 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 79.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HB3' HD11 ' A' ' 12' ' ' LEU . 88.5 m-70 -50.25 131.91 24.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.377 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.626 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 22.7 m-30 -80.39 132.25 35.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.111 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 11' ' ' SER . 46.8 m-85 -117.87 141.05 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 111.92 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.39 104.74 14.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.8 mt -85.76 152.65 22.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 9' ' ' THR . 57.8 m -62.76 -29.42 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' OD2' HG22 ' A' ' 8' ' ' VAL . 98.5 m-20 -88.66 6.34 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.29 7.71 64.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.0 86.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.298 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 56' ' ' TYR . 29.4 t80 63.21 121.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.945 0.402 . . . . 0.0 111.311 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' HE2' ' HB3' ' A' ' 67' ' ' ALA . 2.5 p90 -133.63 148.36 51.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.571 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 71.7 mtp -105.31 135.16 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.902 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.553 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -130.69 123.73 20.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 38.8 Cg_exo -59.96 164.36 12.24 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.577 2.185 . . . . 0.0 111.757 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.545 ' O ' HD11 ' A' ' 70' ' ' LEU . 25.7 t70 -107.66 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -134.46 102.66 5.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.209 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.68 112.81 20.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.65 -148.28 18.66 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -112.89 111.52 22.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.89 114.45 27.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.554 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 15.2 mm-40 -57.22 108.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.822 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 45' ' ' LEU . 3.0 mm -123.97 106.63 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.003 0.43 . . . . 0.0 111.235 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.47 106.25 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.22 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG12 HD21 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -72.84 111.08 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.763 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -83.25 22.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 178.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -101.14 -25.26 8.44 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 4.7 p30 -145.18 8.53 1.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.988 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.97 23.54 67.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.959 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 50.1 t80 -83.58 92.55 7.67 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 117.923 0.862 . . . . 0.0 111.154 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.037 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.71 128.78 1.38 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.762 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 10.6 pt-20 -61.81 141.28 58.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.572 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.7 tp -151.48 146.61 26.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -62.44 155.19 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.11 -13.36 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.08 -59.2 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.122 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -69.19 -16.91 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.92 -36.39 12.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.269 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 97' ' ' THR . . . -58.54 -19.14 40.34 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.316 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.06 -40.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.585 HG13 HG23 ' A' ' 141' ' ' ILE . 40.8 t -73.44 -33.85 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.5 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.907 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -66.58 -46.98 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.738 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.529 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -71.59 -44.21 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.528 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.53 -52.07 63.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.291 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 4.9 m-85 -55.54 -35.07 65.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -62.57 -39.39 93.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 95.4 mt -62.89 -45.26 93.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.993 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.54 94.76 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.222 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -75.21 -46.26 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 0.0 111.174 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 117' ' ' LEU . 2.4 tm? -56.84 -34.55 67.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.571 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HA ' HD22 ' A' ' 117' ' ' LEU . . . -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.03 -15.97 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.467 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.78 -35.9 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 104' ' ' LEU . 22.0 pt -87.35 120.54 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.47 179.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.207 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 66.14 146.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.009 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 111' ' ' THR . 4.4 m -90.59 16.5 8.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.64 -70.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.57 -23.67 53.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -7.22 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -125.7 -7.03 6.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.34 -49.82 7.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.168 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 HD12 ' A' ' 104' ' ' LEU . 2.2 pp -63.79 -30.67 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.626 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 118' ' ' ILE . 18.1 mm -48.92 -28.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -46.23 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.981 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.36 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.432 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.401 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 10.0 t80 -57.23 -50.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -64.05 -34.2 77.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.62 -56.74 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.455 HD13 HD11 ' A' ' 59' ' ' LEU . 61.9 tp -61.84 -47.4 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.6 -37.03 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.35 78.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.679 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 71.6 t80 -71.59 -25.78 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.513 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.2 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.653 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.51 -21.97 66.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.58 -13.32 67.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -71.41 144.92 89.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.565 0.221 . . . . 0.0 111.003 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.8 -13.72 32.19 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 111.834 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -118.34 21.14 12.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.778 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -40.5 -45.35 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -54.07 -44.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.564 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.49 -39.72 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.749 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 91' ' ' ALA . 95.8 mt -62.05 -54.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -64.66 -36.16 83.37 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -74.77 -23.5 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 109.954 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.439 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -73.07 -36.6 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.884 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.585 HG23 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -90.94 -11.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.966 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -85.15 0.52 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p -58.77 -20.7 52.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.74 132.54 50.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.634 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -131.44 141.66 49.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.2 pt20 -109.51 135.56 20.32 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.747 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 11.8 Cg_exo -71.03 -2.48 11.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.744 2.296 . . . . 0.0 112.796 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 61' ' ' ASP . 20.8 t -127.24 136.17 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.283 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 72.9 p -139.84 139.82 36.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -91.16 174.3 7.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -157.03 166.56 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.8 tp -99.05 117.99 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.1 p -85.33 152.57 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.273 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.16 159.8 0.42 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.307 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -77.04 -25.12 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.423 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.05 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.668 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -113.88 -18.17 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 0.0 111.258 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.714 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.5 ptm180 -66.59 -21.4 66.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.55 -19.49 55.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.465 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 25.1 t70 -104.63 -19.36 14.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.661 ' HE1' ' HB3' ' A' ' 64' ' ' PHE . 24.6 t80 -65.52 -43.49 89.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -59.27 -54.32 57.35 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.54 -18.83 33.06 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.138 1.892 . . . . 0.0 112.407 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -81.65 -33.15 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.917 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -103.87 -18.74 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -112.73 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.025 0.441 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.02 137.68 3.86 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' O ' ' HE1' ' A' ' 31' ' ' MET . 19.2 Cg_endo -58.68 -12.63 14.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.425 2.083 . . . . 0.0 112.012 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.51 HH21 ' HE ' ' A' ' 33' ' ' ARG . 6.4 tpt180 -101.95 -39.11 7.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.485 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.06 -28.69 64.55 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.533 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.36 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ptm -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.742 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HE ' HH21 ' A' ' 29' ' ' ARG . 99.8 mtt180 -64.9 -22.83 67.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -99.55 -41.28 2.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.56 -41.48 85.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -28.34 62.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.603 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.734 HD21 ' HG ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -72.67 -42.49 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 0.6 OUTLIER -64.75 -41.19 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.785 -179.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -26.75 59.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.5 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -63.7 -44.69 92.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.752 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.2 m95 -69.71 -31.69 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.735 ' HE1' ' HB3' ' A' ' 92' ' ' ALA . 8.3 tpt -64.99 -51.4 61.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.807 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.5 ptt180 -61.08 -13.28 15.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -88.78 -28.43 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' A' ' 78' ' ' VAL . 35.4 mt -76.91 -28.18 55.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.6 t -126.58 130.6 50.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.698 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -76.53 -23.35 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.06 0.457 . . . . 0.0 110.2 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mmm180 -105.61 47.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.921 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.611 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -118.09 97.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.108 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.564 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.8 OUTLIER -83.24 -71.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.844 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.05 165.45 31.2 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.86 33.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.827 0.346 . . . . 0.0 111.573 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.68 94.69 9.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 64.6 m95 -75.96 80.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.129 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 82.2 m-70 -53.24 146.3 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.375 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.714 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 23.2 m-85 -92.37 129.29 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' ' 11' ' ' SER . 47.2 m-85 -114.76 140.09 49.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.439 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.31 101.49 11.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.574 HD13 ' HA3' ' A' ' 62' ' ' GLY . 10.0 mt -74.68 145.15 43.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.2 m -70.8 -25.5 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.258 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB2' HG23 ' A' ' 8' ' ' VAL . 6.6 m-20 -153.44 14.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.603 ' HA2' ' CB ' ' A' ' 123' ' ' PHE . . . -116.84 11.65 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.457 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.06 -82.83 1.21 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.132 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.661 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 31.6 p90 179.61 142.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -132.36 149.08 52.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 59.3 mtp -104.71 133.84 48.87 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.396 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -129.81 130.6 23.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.955 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 54' ' ' TRP . 44.0 Cg_endo -67.63 159.81 50.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.429 2.086 . . . . 0.0 111.762 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.615 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.9 t70 -100.73 84.23 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.542 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD22 ' C ' ' A' ' 69' ' ' ASP . 3.0 mm? -138.25 110.78 7.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.61 112.89 24.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.98 -156.3 25.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.632 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -106.55 111.82 24.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.044 0.45 . . . . 0.0 110.73 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 70' ' ' LEU . 72.7 mt -99.03 132.48 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.079 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 9.6 pt-20 -85.51 93.21 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.666 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 ' HB3' ' A' ' 45' ' ' LEU . 4.1 mm -109.32 105.04 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.51 104.25 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.895 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.708 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.15 110.0 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.503 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -33.92 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.112 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.63 -33.08 8.53 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.798 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 81' ' ' ASN . 1.6 p-10 -133.4 8.58 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.63 52.06 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.485 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 46.7 t80 -89.13 112.42 23.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.484 0.642 . . . . 0.0 111.312 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -96.47 112.79 24.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.85 130.26 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.04 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 38.6 mt-10 -71.1 124.57 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.557 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 ' HB1' ' A' ' 91' ' ' ALA . 3.0 mm? -127.89 164.43 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.0 p -84.55 156.35 21.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.879 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -52.37 -28.36 19.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.54 -56.65 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.283 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 87' ' ' LEU . . . -67.31 -15.68 63.83 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.735 ' HB3' ' HE1' ' A' ' 42' ' ' MET . . . -91.89 -36.66 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.546 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.538 ' O ' HG22 ' A' ' 97' ' ' THR . . . -60.94 -14.68 39.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.566 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.426 HG21 ' HB2' ' A' ' 128' ' ' ALA . 3.8 mm -74.16 -40.86 51.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.081 0.467 . . . . 0.0 110.603 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.8 HG13 HG23 ' A' ' 141' ' ' ILE . 61.5 t -76.61 -27.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.819 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.534 ' C ' HG21 ' A' ' 38' ' ' VAL . . . -72.87 -50.5 23.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.582 ' HA ' ' HB ' ' A' ' 38' ' ' VAL . 5.6 t -69.86 -41.23 75.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.663 0.268 . . . . 0.0 111.082 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 124' ' ' LEU . 20.2 mt -56.44 -50.79 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.499 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.52 ' HE1' HG23 ' A' ' 141' ' ' ILE . 5.9 m-85 -57.79 -31.4 66.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.709 0.29 . . . . 0.0 111.36 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -65.99 -41.3 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.07 -41.17 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.413 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.27 77.08 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.593 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' OE1' HD22 ' A' ' 37' ' ' LEU . 21.9 tt0 -77.98 -48.67 15.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.966 0.383 . . . . 0.0 111.551 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.734 ' HG ' HD21 ' A' ' 37' ' ' LEU . 83.3 mt -60.01 -40.32 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.434 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.681 ' HB2' HD22 ' A' ' 117' ' ' LEU . . . -62.03 -34.74 76.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.99 -9.22 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -89.79 -42.32 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.475 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 114' ' ' ALA . 34.1 pt -67.71 -6.31 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.442 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.08 -163.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.308 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 61.15 -176.55 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 p -127.44 -6.04 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.537 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -79.8 -15.41 57.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -78.31 -5.56 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.41 -12.05 9.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.83 -51.05 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -68.35 -17.0 64.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.634 ' N ' HD11 ' A' ' 117' ' ' LEU . 15.4 mm -63.46 -31.96 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -43.7 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.831 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 10.4 mpt_? -56.79 -37.61 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.957 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -70.28 -51.66 28.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -52.05 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.686 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.603 ' CB ' ' HA2' ' A' ' 62' ' ' GLY . 23.5 m-85 -88.36 -50.76 6.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.087 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.48 ' HB3' HD23 ' A' ' 98' ' ' LEU . 4.3 tt -49.84 -56.14 11.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.432 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.641 ' NH1' HD12 ' A' ' 141' ' ' ILE . 21.4 ttt85 -46.79 -40.6 13.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.36 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.17 -34.17 88.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.51 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 76.1 t80 -69.92 -35.03 74.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 137' ' ' ILE . . . -63.05 -18.36 63.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.27 -26.94 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.029 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.89 -3.21 90.66 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.249 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.414 ' HD1' ' HD2' ' A' ' 132' ' ' PRO . 13.1 m-70 -82.0 151.9 67.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.583 0.23 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.414 ' HD2' ' HD1' ' A' ' 131' ' ' HIS . 43.0 Cg_endo -67.42 -18.42 49.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.566 2.178 . . . . 0.0 112.026 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.77 16.68 21.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.566 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.77 -44.99 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.139 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -54.48 -44.69 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.548 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.672 ' HA ' ' NE ' ' A' ' 139' ' ' ARG . . . -70.57 -36.02 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.47 HG22 ' HB3' ' A' ' 128' ' ' ALA . 94.5 mt -67.33 -51.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -66.64 -35.4 80.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.672 ' NE ' ' HA ' ' A' ' 136' ' ' ALA . 40.5 ptt180 -74.14 -33.16 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.105 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.429 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -63.65 -30.45 71.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.8 HG23 HG13 ' A' ' 95' ' ' VAL . 42.6 pt -96.96 -15.59 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -105.76 -5.21 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 3' ' ' THR . 7.0 m 62.07 7.16 2.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.3 -3.3 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -151.79 108.63 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.77 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' CD ' ' HA3' ' A' ' 130' ' ' GLY . 4.6 pt20 -86.66 126.23 64.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.2 Cg_exo -71.4 -0.65 8.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.858 2.372 . . . . 0.0 112.656 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -127.27 140.08 50.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.257 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.5 p -146.44 142.69 28.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -87.35 171.44 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -155.01 167.66 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.625 HD11 ' NH2' ' A' ' 18' ' ' ARG . 13.5 tp -92.27 129.29 38.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG21 ' HB3' ' A' ' 58' ' ' ALA . 16.6 t -89.5 153.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.328 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -59.49 145.22 44.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.922 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -63.7 -26.41 68.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.485 -179.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.01 -9.49 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -111.72 -14.55 13.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' NH2' HD11 ' A' ' 12' ' ' LEU . 16.1 mtt180 -66.33 -32.47 73.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.27 -23.16 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.631 ' N ' HD11 ' A' ' 19' ' ' LEU . 8.2 t70 -115.74 -8.23 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.292 . . . . 0.0 111.407 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.66 -35.1 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.755 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 1.1 mm? -65.41 -54.97 27.69 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 37.2 Cg_endo -66.71 -8.45 21.24 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.948 1.766 . . . . 0.0 111.591 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.87 -45.69 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.316 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -97.75 -36.97 10.05 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.617 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.87 -44.94 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 110.077 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.9 148.17 5.42 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.09 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.524 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 15.0 Cg_endo -56.75 -23.45 49.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.432 2.088 . . . . 0.0 112.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -95.65 -46.44 6.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.379 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD11 ' O ' ' A' ' 26' ' ' PHE . 82.5 mt -65.59 -27.29 68.31 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.434 ' HA ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -33.79 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.699 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.8 ptp -105.58 -37.98 6.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 0.0 110.446 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.65 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 4.5 mmp_? -66.3 -15.35 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -106.38 -43.64 1.45 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.365 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.699 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.6 pt-20 -56.4 -34.12 66.42 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.93 65.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 9.6 mt -70.31 -41.43 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.9 m -63.91 -39.97 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB2' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -78.25 -28.4 47.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -59.38 -47.26 86.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.522 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.8 m95 -70.83 -33.53 70.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.639 ' HE2' ' HA ' ' A' ' 42' ' ' MET . 2.4 tpt -59.04 -37.47 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 17.2 ptm180 -84.54 -13.13 52.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 53.6 mtp180 -83.92 -10.21 58.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 76' ' ' ILE . 21.7 mt -93.16 -18.64 22.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.66 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HB2' HD12 ' A' ' 76' ' ' ILE . 24.5 t -146.45 120.18 9.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.414 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -26.28 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.183 0.516 . . . . 0.0 110.045 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -91.77 41.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CD2' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -117.16 98.82 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -82.77 -17.41 44.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.3 139.3 10.46 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.84 -158.9 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.728 0.299 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -92.91 99.56 12.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.515 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -80.78 80.46 7.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.001 -179.379 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.496 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 86.6 m-70 -50.33 148.09 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.352 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.525 ' HE1' ' HE3' ' A' ' 66' ' ' MET . 14.5 m-85 -91.77 133.15 35.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.072 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -117.88 141.93 47.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.698 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -106.7 93.33 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.591 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.0 mt -66.15 146.8 54.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 t -68.82 -19.27 64.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.584 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -88.87 -32.27 17.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.14 34.17 2.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.3 -42.93 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.1 t80 63.51 114.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.969 0.414 . . . . 0.0 111.333 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' HB2' HG22 ' A' ' 97' ' ' THR . 2.6 p90 -130.33 146.94 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.525 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 73.1 mtp -104.73 132.84 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 65' ' ' TYR . . . -127.99 125.13 23.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.464 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HG3' ' HD1' ' A' ' 54' ' ' TRP . 35.2 Cg_exo -59.29 157.14 31.82 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 111.786 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 27.9 t70 -100.84 83.91 2.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.402 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 62.6 mt -142.52 115.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.689 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.48 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.516 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.24 -166.99 27.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.754 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -94.43 106.33 18.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 70' ' ' LEU . 57.6 mt -100.46 109.35 21.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.375 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.46 95.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.086 0.47 . . . . 0.0 110.323 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -111.36 110.75 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.783 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -85.53 105.12 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.179 0.514 . . . . 0.0 109.985 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 140' ' ' ALA . 23.4 t -72.7 95.04 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.413 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -64.66 -34.09 77.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.779 0.323 . . . . 0.0 110.723 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.06 -29.44 0.2 Allowed Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.315 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 p30 -153.64 14.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 0.0 111.317 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.06 19.01 73.44 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.79 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 49.3 t80 -83.75 93.01 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.215 0.507 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -80.49 109.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.983 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.85 116.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.457 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.74 124.75 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 87' ' ' LEU . 4.3 tp -138.48 178.38 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.131 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -80.85 160.07 24.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.717 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -60.84 -23.04 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.04 -59.28 2.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.35 -12.49 60.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.54 -34.46 14.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.024 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 97' ' ' THR . . . -65.18 -18.51 65.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.363 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mm -68.37 -43.44 84.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.085 0.469 . . . . 0.0 110.186 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.643 HG11 HG21 ' A' ' 141' ' ' ILE . 37.5 t -76.19 -23.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -74.03 -47.5 36.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.474 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 65' ' ' TYR . 7.1 t -75.85 -43.09 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.635 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.95 -51.03 59.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.525 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.2 m-85 -58.77 -32.66 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -62.72 -43.66 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.2 mt -56.38 -41.09 75.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.44 -30.98 73.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.668 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 3.1 tp-100 -71.76 -49.61 37.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.47 HD13 HD21 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -59.72 -46.39 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.17 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.472 ' CA ' HD22 ' A' ' 117' ' ' LEU . . . -65.04 -10.69 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.45 -25.34 12.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 16.2 mm-40 -70.07 -19.34 63.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.526 HG13 ' HB3' ' A' ' 114' ' ' ALA . 14.3 pt -115.51 106.36 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.23 15.67 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.61 163.62 4.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.5 p -99.15 -12.92 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.265 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.31 -47.85 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -98.03 -152.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.526 ' HB3' HG13 ' A' ' 108' ' ' ILE . . . 67.58 -9.61 0.42 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.776 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 113' ' ' ALA . 12.2 m-20 -128.83 -6.8 5.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.396 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -86.63 -47.09 9.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.875 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.472 HD22 ' CA ' ' A' ' 105' ' ' ALA . 1.8 pp -65.21 -29.84 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.45 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 12.5 mm -50.03 -31.34 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.451 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -53.2 -45.27 68.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 179.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -57.11 -34.35 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.403 ' HE1' ' CZ ' ' A' ' 125' ' ' ARG . 22.0 t80 -70.64 -47.46 59.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.32 -33.5 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.31 -51.76 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 65' ' ' TYR . 3.9 tt -52.02 -54.59 28.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.318 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 121' ' ' TYR . 39.1 ttm180 -44.79 -40.3 5.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.592 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.85 -36.92 93.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.703 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 85.6 t80 -70.62 -33.01 70.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 131' ' ' HIS . . . -61.51 -25.31 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.532 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . . . -73.17 -26.74 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.474 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -84.39 -7.55 84.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.39 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 8.1 m-70 -70.0 152.15 95.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.614 0.245 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.89 -4.36 11.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.515 2.143 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -134.15 27.31 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.309 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 129' ' ' ALA . . . -41.62 -42.85 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.976 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.42 94.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.319 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.24 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.969 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.458 ' O ' HG12 ' A' ' 141' ' ' ILE . 53.5 mt -77.82 -27.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.618 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 134' ' ' ALA . 1.2 t80 -69.85 -47.42 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.933 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 ptm180 -76.71 -26.69 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 78' ' ' VAL . . . -66.91 -36.8 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.643 HG21 HG11 ' A' ' 95' ' ' VAL . 38.0 pt -93.79 -15.47 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.961 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -91.44 -9.04 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -75.95 -4.2 39.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.83 169.81 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.6 114.66 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.735 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' A' ' 127' ' ' PHE . 11.3 pt20 -65.3 152.78 91.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.508 ' HG2' ' H ' ' A' ' 8' ' ' VAL . 58.5 Cg_endo -72.72 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.595 2.197 . . . . 0.0 113.403 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.556 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 30.4 t -45.21 124.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.91 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 7' ' ' PRO . 65.2 p -139.41 140.05 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.402 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.69 162.97 19.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 111.316 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -150.12 155.88 40.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 HD13 ' HB3' ' A' ' 55' ' ' HIS . 20.5 tp -85.6 137.11 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.6 135.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 17' ' ' GLN . . . -41.56 146.54 0.22 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.5 pt-20 -63.71 -23.97 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.956 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 -2.45 37.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -111.0 -20.96 12.23 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.236 0.541 . . . . 0.0 110.449 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.592 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 15.6 ptp180 -71.83 -17.05 62.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.661 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -77.7 -29.95 51.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.243 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.492 ' N ' HD11 ' A' ' 19' ' ' LEU . 27.4 t70 -107.0 -20.0 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.691 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 41.9 t80 -62.5 -26.63 68.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 26' ' ' PHE . 10.6 tp -73.75 -57.05 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 39.7 Cg_endo -68.18 -19.98 44.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.03 1.82 . . . . 0.0 112.519 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -92.32 -41.51 10.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -97.36 -45.63 6.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.46 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.7 t80 -77.49 -44.41 28.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.346 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.857 ' HA3' HD12 ' A' ' 30' ' ' LEU . . . 127.48 146.54 6.42 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.258 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.35 -12.21 34.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.507 2.138 . . . . 0.0 111.229 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.489 ' C ' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -123.91 30.06 6.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.857 HD12 ' HA3' ' A' ' 27' ' ' GLY . 5.7 mp -138.95 -36.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.104 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.518 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -41.99 -49.24 4.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.294 179.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.2 ptm -88.46 -39.1 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.561 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HB3' HD13 ' A' ' 104' ' ' LEU . 19.3 mmm180 -55.43 -32.79 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.187 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.615 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -100.62 -36.74 3.93 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.192 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.56 -50.36 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.351 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.58 70.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.998 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.82 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -65.9 -42.42 90.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.64 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.7 m -72.82 -39.75 59.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -31.58 64.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.833 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -57.54 -49.39 76.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 110.116 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -64.67 -36.04 82.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.838 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.767 ' HE2' ' HG3' ' A' ' 68' ' ' PRO . 9.5 tpt -61.23 -49.16 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.768 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 4.5 ppt_? -68.97 -9.92 54.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.41 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.8 mtp180 -89.72 -17.28 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.719 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 76' ' ' ILE . 12.2 mt -83.48 -23.17 32.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.7 t -131.61 135.07 46.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.944 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.2 pt-20 -79.71 -19.02 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 110.139 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 42.1 mtm180 -112.53 47.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.572 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.3 t80 -113.46 93.3 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.787 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -0.58 40.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.33 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.42 15.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.24 174.46 2.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.663 0.268 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.21 96.62 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.84 78.55 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 82.3 m-70 -51.91 127.3 20.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.963 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.592 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.8 m-30 -73.88 131.47 41.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.302 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 40.7 m-85 -118.43 138.72 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.074 0.464 . . . . 0.0 111.675 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.72 97.5 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD21 HG11 ' A' ' 8' ' ' VAL . 9.9 mt -72.24 151.4 42.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.556 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 92.6 p -62.94 -27.09 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.26 -29.44 31.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.24 15.38 17.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.289 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.5 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -71.65 -40.8 58.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.45 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' HE2' ' HB3' ' A' ' 56' ' ' TYR . 43.4 t80 62.92 113.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.913 0.387 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.575 ' HB2' HG22 ' A' ' 97' ' ' THR . 1.1 p90 -125.39 144.44 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.637 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.66 129.58 53.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.268 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -124.41 130.19 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.115 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.767 ' HG3' ' HE2' ' A' ' 42' ' ' MET . 42.7 Cg_endo -67.72 159.54 52.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.515 2.143 . . . . 0.0 111.936 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.483 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 21.3 t70 -102.38 86.79 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 53.3 mt -144.28 101.79 3.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.835 0.35 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 143.15 30.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.493 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.31 177.79 24.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.736 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -82.43 121.61 26.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.143 0.497 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 74' ' ' LEU . 1.2 pt? -129.57 123.66 31.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.782 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.6 pt-20 -66.84 112.9 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -124.91 109.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.76 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.2 pt-20 -81.2 112.82 18.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.331 0.586 . . . . 0.0 110.486 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 140' ' ' ALA . 21.6 t -79.34 90.92 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.337 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' ND2' HD23 ' A' ' 45' ' ' LEU . 8.1 p30 -63.69 -31.62 72.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.53 -30.8 0.93 Allowed Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 113.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.527 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.9 p30 -150.43 14.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.157 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.73 72.28 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.126 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.527 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 47.7 t80 -86.98 94.07 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -78.44 107.34 11.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.006 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.05 131.5 2.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.275 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.5 mt-10 -63.41 139.76 58.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 14.9 tp -153.0 140.13 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -61.98 160.34 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.29 -19.7 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.652 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.5 -60.4 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.63 -19.83 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.243 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.536 ' HB1' ' HE3' ' A' ' 42' ' ' MET . . . -85.35 -36.64 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.223 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.496 ' O ' HG21 ' A' ' 97' ' ' THR . . . -61.81 -17.5 54.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.422 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 128' ' ' ALA . 4.1 mm -73.62 -38.25 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.5 HG12 HG23 ' A' ' 141' ' ' ILE . 46.2 t -77.18 -26.46 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.351 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.516 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.93 -45.7 60.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.513 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 65' ' ' TYR . 3.6 t -74.5 -43.43 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.807 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.1 mt -53.9 -54.5 37.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.644 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 7.1 m-85 -55.21 -30.74 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.502 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.87 -41.5 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.393 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.86 -35.92 92.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.657 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.5 -48.81 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.942 0.371 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 108' ' ' ILE . 20.1 tp -57.91 -24.76 59.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.595 ' HA ' HD23 ' A' ' 117' ' ' LEU . . . -76.96 -35.61 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.99 -6.02 54.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.44 -43.39 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.432 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 104' ' ' LEU . 45.4 pt -68.84 -44.52 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.443 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -170.99 -167.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -155.62 9.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 p -115.29 -65.8 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.317 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.45 -60.82 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 109' ' ' ALA . . . -89.67 86.23 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -177.4 -8.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.998 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -124.82 -8.7 7.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -84.04 -51.02 7.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 110.237 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.595 HD23 ' HA ' ' A' ' 105' ' ' ALA . 2.3 pp -62.74 -27.4 69.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.65 179.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 118' ' ' ILE . 16.3 mm -51.91 -27.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.471 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.2 OUTLIER -52.72 -42.86 65.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.728 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.5 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 3.2 mpt_? -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -66.05 -48.67 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -55.98 -33.64 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -80.84 -55.65 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 65' ' ' TYR . 2.9 tt -48.92 -59.68 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -45.24 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.94 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.68 72.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.844 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.473 ' HA ' HE22 ' A' ' 6' ' ' GLN . 72.2 t80 -66.29 -35.63 80.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 94' ' ' ILE . . . -62.06 -20.35 63.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.316 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.31 68.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.02 -4.88 88.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.278 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.73 146.11 48.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.13 -9.17 22.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.721 2.281 . . . . 0.0 112.435 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -119.62 19.74 12.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -45.8 -42.71 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.48 -43.3 64.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.578 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.01 -33.1 59.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -70.5 -51.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -64.35 -33.39 75.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.55 0.214 . . . . 0.0 111.414 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -75.58 -33.04 60.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.418 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.37 -31.67 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.498 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.539 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . 2.8 pp -98.26 -10.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.895 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.75 136.18 39.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -105.22 -12.17 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.324 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.89 174.86 9.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -146.7 115.16 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -98.95 123.11 50.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.8 8.64 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.875 2.384 . . . . 0.0 112.849 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.508 HG23 ' OD2' ' A' ' 61' ' ' ASP . 55.7 t -90.85 130.52 39.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.624 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 54.2 p -148.62 138.83 22.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.873 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -78.33 -177.31 5.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 35.1 t -159.5 155.8 27.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.15 116.68 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.89 152.16 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.151 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.25 157.91 1.29 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.08 -28.21 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.95 -6.47 38.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.408 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.8 mm-40 -109.7 -16.12 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.529 HH22 ' HA ' ' A' ' 55' ' ' HIS . 17.6 ptm180 -73.91 -25.88 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.643 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.55 HD11 ' N ' ' A' ' 20' ' ' ASP . 3.4 pp -70.4 -25.9 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.133 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' N ' HD11 ' A' ' 19' ' ' LEU . 13.0 t70 -104.24 -17.91 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.0 t80 -66.34 -37.38 85.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.4 tp -61.23 -56.43 34.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.276 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 37.2 Cg_endo -66.16 -14.86 46.21 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.851 1.701 . . . . 0.0 110.977 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 1.7 m -72.25 -36.56 69.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.832 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -119.49 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.951 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -40.12 -41.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.549 178.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.532 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 116.05 141.07 7.12 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.299 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 18.4 Cg_endo -58.98 -13.55 19.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.462 2.108 . . . . 0.0 111.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.74 -41.84 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.427 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 26' ' ' PHE . 10.3 mp -68.11 -30.33 69.46 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -33.32 -35.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.541 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.5 ptp -103.68 -35.99 8.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.418 . . . . 0.0 110.24 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 23.2 mmm180 -70.12 -12.5 61.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.397 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.512 ' O ' HG11 ' A' ' 38' ' ' VAL . . . -109.4 -45.14 1.01 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.654 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.8 pt-20 -58.29 -34.54 70.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.22 -29.69 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.593 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.668 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -73.6 -36.7 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 34' ' ' GLY . 3.1 m -69.9 -40.9 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.73 -23.6 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -62.35 -40.7 97.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.4 m95 -75.73 -32.84 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.545 ' SD ' ' HB1' ' A' ' 96' ' ' ALA . 7.3 tpt -60.17 -47.2 86.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.361 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -67.13 -15.09 63.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.1 mtt180 -82.53 -19.22 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.1 0.476 . . . . 0.0 110.489 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 76' ' ' ILE . 17.9 mt -82.24 -29.51 31.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.705 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.753 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 51.4 t -128.65 141.06 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.699 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.86 -21.77 37.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -115.83 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.753 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 4.0 t80 -111.1 94.76 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.31 -60.23 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.63 -173.27 43.27 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.658 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . . . -174.99 177.34 1.98 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -91.34 97.79 11.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.426 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.76 79.35 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.529 ' HA ' HH22 ' A' ' 18' ' ' ARG . 94.7 m-70 -48.46 142.3 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.365 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.504 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.6 m-30 -84.94 128.57 34.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.405 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 45.2 m-85 -119.04 140.58 49.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.536 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.566 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.53 109.22 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.978 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.546 HD13 HD11 ' A' ' 124' ' ' LEU . 9.7 mt -85.46 149.6 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.477 ' OG ' HG13 ' A' ' 8' ' ' VAL . 99.9 p -71.02 -25.28 62.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.428 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.508 ' OD2' HG23 ' A' ' 8' ' ' VAL . 14.7 m-20 -71.48 -33.45 69.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.155 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.29 14.37 10.85 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.15 -48.8 4.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 49.6 m-85 64.77 126.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.539 ' HB2' HG22 ' A' ' 97' ' ' THR . 5.1 p90 -140.84 168.57 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 111.504 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 35' ' ' GLU . 23.5 mtm -124.5 146.91 48.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -137.21 125.42 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.555 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 47.8 Cg_exo -56.12 162.21 7.75 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 30.4 t70 -105.28 88.57 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.508 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 74' ' ' LEU . 21.8 mt -138.6 109.58 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.85 107.64 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.61 -159.84 27.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.613 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -107.48 110.7 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.709 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 70' ' ' LEU . 2.7 mp -115.91 116.2 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.1 106.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -117.34 108.39 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -80.35 116.78 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.135 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 140' ' ' ALA . 18.6 t -88.08 93.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.395 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.79 -35.46 80.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.47 -27.87 0.17 Allowed Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.45 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.542 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.6 p30 -150.66 13.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.938 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.88 17.04 69.02 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.542 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 35.2 t80 -78.71 87.02 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -74.7 106.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.557 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.35 148.67 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.279 . . . . 0.0 110.27 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 91' ' ' ALA . 8.0 tp -160.92 148.31 15.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.884 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -68.52 158.42 33.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.66 -8.77 4.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.439 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.59 -56.32 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.222 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . . . -77.0 -10.26 59.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' CB ' ' HE3' ' A' ' 42' ' ' MET . . . -96.92 -36.04 10.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.807 0.337 . . . . 0.0 110.421 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' THR . . . -59.44 -20.51 51.47 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.143 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.2 -41.01 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 141' ' ' ILE . 21.3 t -73.06 -33.36 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.166 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.545 ' HB1' ' SD ' ' A' ' 42' ' ' MET . . . -67.72 -46.42 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.854 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.539 HG22 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.585 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 HD13 HD12 ' A' ' 141' ' ' ILE . 25.0 mt -57.3 -50.48 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 5.2 m-85 -57.55 -29.49 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.495 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.03 86.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.329 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.6 mt -57.91 -41.85 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.314 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.83 -13.6 69.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.487 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -91.21 -45.28 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.952 0.376 . . . . 0.0 111.35 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.668 ' HG ' HD22 ' A' ' 37' ' ' LEU . 89.5 mt -63.35 -34.13 77.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.545 ' CB ' HD13 ' A' ' 117' ' ' LEU . . . -64.14 -38.8 92.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.76 -9.15 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -86.67 -4.95 59.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.615 0.245 . . . . 0.0 111.358 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.567 HG13 ' H ' ' A' ' 109' ' ' ALA . 23.0 pt -109.9 -53.64 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.567 ' H ' HG13 ' A' ' 108' ' ' ILE . . . -174.9 -156.18 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.58 128.79 25.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 90.9 m 64.53 125.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 111' ' ' THR . 12.2 m-20 72.02 14.98 5.68 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.593 0.711 . . . . 0.0 110.01 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' O ' HD13 ' A' ' 108' ' ' ILE . . . -159.72 -51.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.116 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 109' ' ' ALA . . . -92.58 4.48 53.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.73 0.04 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.73 -59.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -64.15 -16.0 60.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.303 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.578 ' N ' HD11 ' A' ' 117' ' ' LEU . 18.3 mm -61.28 -21.28 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -46.33 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.941 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.586 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 10.7 mpt_? -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.077 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.418 ' HH ' HD13 ' A' ' 141' ' ' ILE . 31.6 t80 -54.43 -55.9 24.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -55.88 -30.27 61.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.586 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 18.2 m-85 -67.73 -58.38 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.546 HD11 HD13 ' A' ' 59' ' ' LEU . 36.0 tp -59.05 -50.55 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -45.94 -37.34 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.325 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.33 89.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.847 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.501 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 29.9 t80 -69.22 -29.21 67.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' A' ' 137' ' ' ILE . . . -62.96 -19.31 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.839 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.55 49.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.59 -8.54 84.59 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.095 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -78.36 150.51 76.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.568 0.223 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.06 -21.95 62.64 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.487 2.125 . . . . 0.0 111.846 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.83 17.55 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.48 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.0 -48.74 4.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.211 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.93 -46.35 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.76 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.22 -38.32 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 91' ' ' ALA . 91.9 mt -66.68 -52.34 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.9 p90 -65.1 -36.1 83.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.76 -30.32 62.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.454 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.9 -34.37 78.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.689 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.562 HG23 HG13 ' A' ' 95' ' ' VAL . 49.9 pt -93.97 -13.37 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.984 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.963 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.3 p -113.54 -14.72 12.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -93.8 156.37 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -171.02 150.47 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.005 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 7.9 pt20 -132.66 108.31 13.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.92 4.96 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.824 2.349 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 61' ' ' ASP . 90.8 t -101.51 136.09 34.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.291 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 59.7 p -150.44 141.93 23.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . . . -78.68 178.17 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.515 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.8 t -155.74 154.55 31.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.896 0.379 . . . . 0.0 111.235 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD11 ' NH2' ' A' ' 18' ' ' ARG . 17.7 tp -87.99 121.2 30.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.07 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.06 149.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.269 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -66.54 143.8 56.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -58.35 -31.33 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.645 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.99 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -113.15 -13.07 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.371 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.634 HH22 ' HD1' ' A' ' 55' ' ' HIS . 9.8 mtt180 -64.38 -34.18 77.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.885 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 ' N ' ' A' ' 20' ' ' ASP . 1.5 pp -63.65 -21.7 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.372 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.631 ' N ' HD11 ' A' ' 19' ' ' LEU . 31.7 t70 -111.71 -16.63 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.162 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.31 -43.9 96.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -63.66 -52.73 56.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.637 -179.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.498 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 56.8 Cg_endo -70.5 -17.66 34.06 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.027 1.818 . . . . 0.0 112.709 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -85.95 -39.19 17.18 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.49 -28.97 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -97.42 -41.16 8.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.808 ' HA3' HD22 ' A' ' 30' ' ' LEU . . . 137.27 138.82 3.8 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.166 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -58.94 -20.21 51.74 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.172 1.914 . . . . 0.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.18 -39.85 8.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.89 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.808 HD22 ' HA3' ' A' ' 27' ' ' GLY . 1.6 mm? -69.01 -29.3 67.46 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.502 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -32.06 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.596 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 26.2 ptt? -105.05 -34.68 7.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 0.0 110.395 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.596 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 3.6 mmp_? -66.97 -19.18 65.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' HA2' HD12 ' A' ' 104' ' ' LEU . . . -107.3 -42.61 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.385 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.71 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.0 tt0 -55.45 -36.27 66.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.92 -26.09 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.991 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.731 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -70.75 -39.99 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.907 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG21 ' N ' ' A' ' 39' ' ' TYR . 3.5 m -68.64 -42.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' N ' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.27 -22.17 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.12 -40.93 99.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.722 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.518 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.7 m95 -75.32 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.794 ' HE2' ' HB1' ' A' ' 96' ' ' ALA . 34.5 tpp -62.04 -49.72 74.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.458 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -63.92 -17.79 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.389 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 66.9 mtp180 -81.5 -19.8 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 76' ' ' ILE . 16.9 mt -88.58 -20.75 24.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.55 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.0 t -126.11 139.32 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.736 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.15 -22.93 30.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.155 0.502 . . . . 0.0 110.297 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -114.42 52.65 0.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.883 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.687 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -116.61 102.6 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.979 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -83.22 -67.09 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.54 176.02 41.16 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' CB ' HD23 ' A' ' 70' ' ' LEU . . . -167.14 167.42 14.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.895 0.379 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -93.18 96.65 10.15 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 52.6 m95 -75.71 84.17 2.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.768 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.634 ' HD1' HH22 ' A' ' 18' ' ' ARG . 84.9 m-70 -55.35 128.67 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.862 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -72.26 131.05 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.666 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 38.3 m-85 -118.58 140.73 49.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.588 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.73 105.47 14.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD12 HD12 ' A' ' 124' ' ' LEU . 13.4 mt -83.72 147.82 27.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m -79.92 -0.82 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HB2' HG13 ' A' ' 8' ' ' VAL . 43.6 t0 -99.13 -9.37 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.07 59.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.677 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 120' ' ' ARG . . . -81.03 -55.23 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.588 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 62.4 m-85 64.25 120.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.775 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -141.51 167.71 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.747 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.71 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 33.6 mtm -123.16 146.21 47.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.345 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' TRP . . . -137.36 137.29 22.0 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.315 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 33.6 Cg_endo -64.2 162.4 30.08 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.603 2.202 . . . . 0.0 112.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.601 ' C ' HD22 ' A' ' 70' ' ' LEU . 38.6 t70 -105.68 83.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.601 HD22 ' C ' ' A' ' 69' ' ' ASP . 3.0 mm? -137.12 113.08 9.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.627 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.18 115.89 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.93 -152.95 20.91 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.727 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 9.9 mpt_? -111.46 117.67 33.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.474 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD13 ' CB ' ' A' ' 70' ' ' LEU . 75.8 mt -102.97 116.44 32.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 39.6 tt0 -66.36 88.67 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' A' ' 45' ' ' LEU . 2.3 mm -109.15 106.81 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.563 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -82.88 119.38 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 80' ' ' GLY . 35.8 t -83.17 92.85 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.214 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -77.37 21.57 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.174 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -95.51 -19.62 29.37 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.418 HD22 ' HA ' ' A' ' 140' ' ' ALA . 9.2 p30 -156.27 12.03 0.28 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.758 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.84 79.75 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.72 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 55.1 t80 -91.45 96.18 10.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.423 0.611 . . . . 0.0 111.623 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -81.28 111.44 17.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.7 127.96 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.668 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 40.8 mt-10 -73.19 116.13 13.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mp -126.92 152.95 46.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.477 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.0 p -73.74 162.25 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.282 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.68 -15.95 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -83.11 -57.35 3.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' ' 94' ' ' ILE . . . -71.45 -8.19 52.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.843 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.2 -31.41 10.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' O ' HG23 ' A' ' 97' ' ' THR . . . -64.85 -13.7 57.16 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.22 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 91' ' ' ALA . 4.1 mt -80.67 -54.9 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.585 HG23 HG22 ' A' ' 141' ' ' ILE . 60.4 t -62.07 -23.4 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.794 ' HB1' ' HE2' ' A' ' 42' ' ' MET . . . -75.75 -47.06 27.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.466 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.558 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.7 t -75.28 -35.52 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.419 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.558 HD21 HD11 ' A' ' 101' ' ' LEU . 30.9 mt -62.61 -50.12 72.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.969 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 2.7 m-85 -57.4 -26.29 60.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.409 . . . . 0.0 110.737 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.731 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -76.08 -38.28 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD11 HD21 ' A' ' 98' ' ' LEU . 77.3 mt -58.08 -41.11 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.93 -28.09 72.27 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.267 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.552 ' NE2' HD12 ' A' ' 37' ' ' LEU . 21.8 tt0 -78.53 -47.71 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.955 0.377 . . . . 0.0 111.188 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.545 HD12 ' HA2' ' A' ' 34' ' ' GLY . 79.1 mt -60.25 -30.13 69.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.733 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.554 ' HA ' HD23 ' A' ' 117' ' ' LEU . . . -74.33 -34.34 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.899 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.24 -13.51 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 109' ' ' ALA . 3.2 tm-20 -77.77 -39.8 42.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 114' ' ' ALA . 36.8 pt -78.79 24.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.366 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 107' ' ' GLU . . . -63.4 93.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 111.018 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -160.37 23.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.193 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.6 m 66.13 98.75 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -177.48 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.137 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -112.19 -97.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 108' ' ' ILE . . . 59.5 -0.58 0.17 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 113' ' ' ALA . 39.2 t70 -129.65 -8.33 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.87 -50.32 8.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.011 0.434 . . . . 0.0 110.161 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 105' ' ' ALA . 1.9 pp -64.21 -30.64 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.734 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.38 -31.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.688 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.468 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -49.92 -47.53 52.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.253 179.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.545 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -54.46 -40.2 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.305 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.94 -56.98 15.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -57.28 -27.82 62.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.467 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 119' ' ' ASP . 23.1 m-30 -72.76 -54.38 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.412 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.534 HD21 ' HG ' ' A' ' 98' ' ' LEU . 58.3 tp -63.17 -46.64 86.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.433 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -45.13 -35.38 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.583 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.02 -30.74 60.75 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.665 -0.778 . . . . 0.0 113.343 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.526 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 64.3 t80 -71.19 -34.86 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 111.594 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.534 ' HB2' HG23 ' A' ' 137' ' ' ILE . . . -76.71 -15.32 59.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.701 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.29 59.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.545 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -94.98 8.98 70.46 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.714 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.437 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 3.0 m-70 -83.16 151.28 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.524 0.202 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.419 ' HD2' ' OE2' ' A' ' 133' ' ' GLU . 32.3 Cg_exo -58.4 -26.5 77.87 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.637 2.225 . . . . 0.0 112.306 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.437 ' OE2' ' HB3' ' A' ' 131' ' ' HIS . 1.1 pm0 -110.55 15.8 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.62 -40.98 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.463 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -48.74 -47.41 41.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.691 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 139' ' ' ARG . . . -72.2 -34.52 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.291 . . . . 0.0 111.768 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 128' ' ' ALA . 81.3 mt -67.93 -52.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.463 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 3.0 p90 -64.37 -35.59 81.38 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 ptp180 -73.48 -29.44 62.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.051 0.453 . . . . 0.0 109.88 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 95' ' ' VAL . . . -67.74 -35.33 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.866 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.585 HG22 HG23 ' A' ' 95' ' ' VAL . 50.0 pt -89.14 -15.09 9.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.835 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.687 0.28 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 56.93 91.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -98.02 16.01 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.84 163.38 21.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.36 -179.72 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.625 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 7.0 pt20 -57.33 162.57 4.2 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.3 -1.36 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.525 2.15 . . . . 0.0 113.054 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.625 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 98.5 t -121.56 134.07 66.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.603 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.7 p -148.73 141.33 24.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.193 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.28 -178.76 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.3 t -158.63 162.7 37.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.92 124.17 40.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.57 151.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.53 155.34 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.012 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.93 -28.7 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.37 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.02 -4.28 49.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.509 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.1 mm-40 -114.71 -15.86 11.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 11.5 ptm180 -74.41 -24.82 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -67.53 -23.68 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 22.0 t70 -112.0 -15.51 13.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.207 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 18.5 t80 -65.06 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.161 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 13.0 tp -70.92 -55.28 6.82 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 43.5 Cg_endo -68.89 -15.34 40.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.987 1.792 . . . . 0.0 112.162 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -87.73 -40.85 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -107.31 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.548 ' O ' HD21 ' A' ' 30' ' ' LEU . 2.5 t80 -92.93 -39.7 11.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.486 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 135.86 135.55 3.46 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.217 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 22.9 Cg_endo -61.29 -20.84 69.84 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.264 1.976 . . . . 0.0 111.507 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.699 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.7 tmt_? -97.01 -40.1 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.778 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' O ' ' A' ' 26' ' ' PHE . 8.2 mp -66.11 -34.38 77.92 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.523 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -31.73 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.029 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.595 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 21.9 ptp -101.32 -36.47 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.699 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 3.3 mmp_? -69.49 -12.7 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -107.61 -43.63 1.32 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.232 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.613 ' HG3' ' HE3' ' A' ' 66' ' ' MET . 38.5 tt0 -61.32 -43.56 98.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -56.6 -31.85 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.246 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 104' ' ' LEU . 8.8 mp -77.83 -42.72 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.679 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 97' ' ' THR . 40.2 t -57.95 -41.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 111.012 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.79 -23.88 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -65.62 -42.06 91.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.494 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.3 m95 -73.79 -30.78 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.431 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.576 ' HE2' ' HG2' ' A' ' 68' ' ' PRO . 5.5 tpt -64.23 -52.83 56.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.606 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 39' ' ' TYR . 7.2 ptp180 -58.5 -14.25 7.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.508 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -86.16 -38.37 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.469 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 76' ' ' ILE . 18.9 mt -59.81 -31.72 69.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.601 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.961 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 45.8 t -121.71 154.24 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 110.3 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -92.5 -17.7 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -114.03 7.53 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.961 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.5 t80 -65.75 91.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.401 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -73.91 -39.69 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.899 179.147 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.48 -177.17 32.79 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.11 176.89 2.02 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.37 95.5 10.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 111.222 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.13 77.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.552 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 92.0 m-70 -52.55 140.81 21.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.506 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.1 m-30 -83.49 135.17 34.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.338 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' HA ' ' O ' ' A' ' 11' ' ' SER . 49.4 m-85 -123.01 142.93 50.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.492 . . . . 0.0 111.543 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.54 109.1 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.9 mt -84.25 147.46 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -75.17 -8.82 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.698 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' HB2' HG11 ' A' ' 8' ' ' VAL . 7.8 t0 -91.9 -28.66 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.824 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.6 16.05 9.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.76 -51.85 3.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.453 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 75.5 m-85 65.21 120.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.552 ' HB2' HG22 ' A' ' 97' ' ' THR . 4.2 p90 -136.78 172.74 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.613 ' HE3' ' HG3' ' A' ' 35' ' ' GLU . 17.8 mtm -127.22 144.2 51.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.572 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -134.12 124.61 17.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.576 ' HG2' ' HE2' ' A' ' 42' ' ' MET . 31.8 Cg_exo -58.47 161.88 13.51 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.558 2.172 . . . . 0.0 111.912 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.451 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 20.2 t70 -103.33 87.05 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.51 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 64.7 mt -140.33 113.04 8.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.803 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.92 159.84 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.246 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.91 -149.83 23.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.664 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -122.77 129.72 52.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.092 0.472 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' N ' HD21 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -128.79 131.07 47.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.896 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 8.7 pt-20 -64.98 112.76 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.61 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.8 mm -123.72 104.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.857 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.737 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 42.2 mt-10 -81.68 128.22 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.454 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' A' ' 80' ' ' GLY . 37.7 t -97.15 95.45 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.476 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.87 19.61 0.51 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.381 . . . . 0.0 110.82 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -92.34 -17.89 44.46 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -160.03 13.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.699 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.03 16.33 80.63 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.477 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -85.17 92.97 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.126 0.463 . . . . 0.0 111.493 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.737 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 54.1 ttp180 -84.02 111.53 19.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.29 140.39 6.95 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.88 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.564 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.4 mp0 -74.41 135.64 42.39 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 tp -152.54 150.21 29.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.3 p -72.24 159.59 33.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.42 -11.72 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.234 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.01 -59.17 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.5 -10.7 59.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.44 ' CB ' ' HE3' ' A' ' 42' ' ' MET . . . -96.08 -36.49 10.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.386 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG21 ' A' ' 97' ' ' THR . . . -59.89 -19.61 50.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.294 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -67.33 -38.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG12 HG22 ' A' ' 141' ' ' ILE . 59.5 t -81.83 -24.07 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.16 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.538 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -66.04 -48.64 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.72 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.589 ' N ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -80.75 -37.47 30.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.789 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.583 HD23 HG23 ' A' ' 141' ' ' ILE . 2.0 tp -49.23 -54.21 17.77 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.008 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.17 -34.02 71.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 97' ' ' THR . . . -58.35 -43.15 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.602 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.5 mt -58.84 -41.02 85.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.808 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.06 72.88 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.097 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.3 tt0 -76.32 -46.58 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 0.0 111.048 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' HD21 ' A' ' 37' ' ' LEU . 88.9 mt -58.07 -45.38 87.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.676 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.447 ' HB1' HD23 ' A' ' 117' ' ' LEU . . . -58.74 -34.47 71.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.31 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.806 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 18.4 mm-40 -63.29 -37.08 85.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.222 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.8 pt -84.75 21.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.66 -168.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.6 109.07 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.8 m -156.18 -77.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.14 -41.96 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -99.52 -142.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.44 -1.82 1.17 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.66 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 113' ' ' ALA . 13.9 m-20 -126.99 -6.79 6.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.23 3.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD22 ' C ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -63.57 -17.43 62.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 110.099 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.8 mm -60.68 -25.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.426 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -47.24 44.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.994 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.433 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 11.0 mpt_? -55.53 -38.78 69.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.97 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.75 -51.14 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.443 ' CD2' HG22 ' A' ' 118' ' ' ILE . 78.5 m-70 -60.99 -33.91 73.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.433 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 14.3 m-30 -64.9 -55.53 18.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.331 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 59' ' ' LEU . 39.5 tp -64.88 -41.77 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.646 HH22 ' HB2' ' A' ' 138' ' ' TYR . 15.1 tpt180 -47.25 -35.49 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.361 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.93 -34.09 62.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.724 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 53.7 t80 -69.79 -26.56 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.754 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.11 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.724 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.01 55.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.968 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.74 -14.97 78.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -70.67 148.85 95.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.632 0.253 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.66 -9.01 24.9 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 111.396 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -119.31 21.58 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.116 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.57 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.27 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.742 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.77 77.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.88 -50.92 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.646 ' HB2' HH22 ' A' ' 125' ' ' ARG . 1.5 p90 -66.25 -36.32 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -72.37 -33.92 67.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.404 . . . . 0.0 110.232 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.92 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.755 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.622 HG22 HG12 ' A' ' 95' ' ' VAL . 36.0 pt -91.24 -21.23 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.305 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.948 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -145.5 141.77 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 m -108.22 -19.59 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.03 120.19 12.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -100.56 159.6 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 4.3 pt20 -139.94 116.42 8.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.8 Cg_exo -67.36 3.79 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.736 2.291 . . . . 0.0 112.695 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.796 HG12 ' HB3' ' A' ' 60' ' ' SER . 15.1 t -126.15 139.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.493 ' H ' ' HB2' ' A' ' 60' ' ' SER . 19.2 p -150.7 145.98 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.024 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . . . -92.29 -177.48 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -166.46 147.68 6.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.85 122.93 20.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 t -85.34 154.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.69 154.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.17 -26.74 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.309 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.99 -5.55 50.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.421 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -113.69 -20.96 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.691 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 10.4 ptm180 -70.58 -17.09 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 20' ' ' ASP . 3.6 pp -71.43 -24.29 62.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.63 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' HD13 ' A' ' 19' ' ' LEU . 15.4 t70 -111.36 -8.17 14.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.527 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.488 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -69.09 -57.43 7.51 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.52 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -66.59 -5.99 14.29 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.026 1.818 . . . . 0.0 111.744 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.9 m -94.98 -48.43 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.377 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -100.22 -34.96 9.8 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.466 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -88.84 -40.46 13.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.52 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 130.92 143.43 5.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.49 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 11.6 Cg_endo -55.13 -22.03 30.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.434 2.089 . . . . 0.0 111.821 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -94.19 -48.71 6.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.308 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.658 HD23 HD11 ' A' ' 104' ' ' LEU . 7.2 mp -65.83 -23.34 66.66 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.57 -39.02 0.43 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.641 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 27.0 ptm -106.03 -41.34 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -65.46 -15.02 62.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.972 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.571 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -105.49 -44.24 1.47 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.402 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 15.0 pt-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 109.898 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.37 -31.88 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 4.3 tp -67.28 -38.96 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.024 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.9 m -69.13 -37.07 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.376 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -24.97 42.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.885 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.58 -41.29 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.374 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.482 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -66.74 -33.31 75.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.86 ' HE2' ' HB3' ' A' ' 96' ' ' ALA . 53.2 tpp -62.13 -49.18 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.655 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -65.4 -14.35 60.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.625 0.25 . . . . 0.0 111.154 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -82.14 -21.2 36.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.176 0.512 . . . . 0.0 110.181 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.608 ' HB3' HG22 ' A' ' 76' ' ' ILE . 9.2 mt -82.91 -25.02 32.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.581 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 44.8 t -135.2 125.32 26.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.677 ' HG2' ' HG2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -69.89 -19.71 63.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.035 0.445 . . . . 0.0 110.749 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.677 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 18.8 mmm180 -113.04 44.68 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.942 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.683 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.9 t80 -110.91 96.94 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.402 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -68.26 -68.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.08 -173.06 45.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.652 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.7 3.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.446 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 28.1 m-85 -85.83 96.82 9.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.093 0.473 . . . . 0.0 111.249 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.41 77.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.519 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.654 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.4 m-70 -56.02 136.53 52.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.229 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.691 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.0 m-85 -86.79 134.52 33.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.54 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 61.4 m-85 -122.87 144.91 48.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 111.819 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.63 101.16 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.502 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 1.1 mm? -58.55 156.02 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.389 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.796 ' HB3' HG12 ' A' ' 8' ' ' VAL . 41.7 t -63.43 -22.24 66.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 110.233 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -103.28 -42.47 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.03 9.0 2.0 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.755 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' CB ' ' A' ' 120' ' ' ARG . . . -57.38 -38.68 88.11 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 23.8 t80 61.6 112.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.537 ' HE2' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p90 -124.18 144.07 50.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.421 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.546 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 77.2 mtp -104.63 131.9 51.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.068 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.537 ' HB3' ' HE2' ' A' ' 65' ' ' TYR . . . -127.62 127.74 24.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 50.7 Cg_endo -69.27 162.7 40.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.6 2.2 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.544 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 19.3 t70 -101.27 90.18 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.564 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 75.8 mt -150.43 144.53 25.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.152 0.501 . . . . 0.0 111.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 170.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.447 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.51 172.24 40.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.871 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' O ' HD21 ' A' ' 74' ' ' LEU . 33.0 mmt180 57.15 87.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD21 ' O ' ' A' ' 73' ' ' ARG . 39.9 mt -136.73 121.71 18.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.679 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.53 110.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.757 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.67 112.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.026 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 9.1 pt-20 -82.66 120.24 25.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.193 0.52 . . . . 0.0 110.048 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 48.1 t -90.03 93.19 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.328 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.24 -31.59 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.57 -32.95 0.89 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.237 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -150.71 15.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.78 17.61 71.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.457 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 30.3 t80 -77.97 88.52 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -78.14 106.06 9.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.879 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.51 133.97 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.141 -1.028 . . . . 0.0 113.19 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.7 tp -160.01 158.07 29.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 111.284 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.0 p -77.56 158.55 29.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -25.41 60.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.413 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.36 -58.7 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -13.22 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.229 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.54 -36.81 16.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.537 ' O ' HG21 ' A' ' 97' ' ' THR . . . -62.78 -18.25 59.16 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.574 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.74 -44.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.158 0.504 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.514 HG21 HG22 ' A' ' 141' ' ' ILE . 88.8 t -73.5 -24.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.382 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB3' ' HE2' ' A' ' 42' ' ' MET . . . -73.35 -46.6 48.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.751 0.31 . . . . 0.0 111.345 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.537 HG21 ' O ' ' A' ' 93' ' ' GLY . 4.9 t -74.44 -44.94 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.39 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.565 HD12 HD11 ' A' ' 141' ' ' ILE . 24.4 mt -52.04 -49.32 63.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.4 m-85 -59.26 -34.93 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.228 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 121' ' ' TYR . 89.7 mt -59.11 -43.65 91.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.95 -23.18 74.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.883 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -80.6 -46.22 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.636 0.255 . . . . 0.0 111.141 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.658 HD11 HD23 ' A' ' 30' ' ' LEU . 68.9 mt -58.05 -29.43 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.695 ' HB1' HD11 ' A' ' 117' ' ' LEU . . . -74.63 -28.57 60.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.64 -8.77 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.521 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -79.03 -51.18 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.972 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.2 pt -70.98 125.21 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.323 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.45 70.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.38 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.75 165.22 2.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 t -114.99 -25.07 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.304 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.39 -51.77 66.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.028 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.559 ' O ' HD13 ' A' ' 117' ' ' LEU . . . -83.07 -13.37 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.41 -7.71 55.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.13 -11.38 7.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -50.07 10.85 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.615 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.695 HD11 ' HB1' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -61.91 -14.69 36.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.301 0.572 . . . . 0.0 109.638 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.693 ' N ' HD12 ' A' ' 117' ' ' LEU . 13.6 mm -70.12 -23.7 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.331 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -43.41 74.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.519 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.644 ' NE ' ' HA ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.8 -28.8 62.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.442 ' HA ' HD13 ' A' ' 101' ' ' LEU . 43.1 t80 -61.94 -48.46 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.701 0.286 . . . . 0.0 110.67 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -57.52 -33.08 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.717 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -71.42 -54.93 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.406 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.9 tt -53.58 -55.01 29.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.753 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -45.17 -36.09 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.923 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.18 -35.14 88.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.945 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.523 ' HB2' HD12 ' A' ' 59' ' ' LEU . 41.6 t80 -65.06 -22.63 67.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.981 0.419 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.07 -7.3 59.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -97.51 25.16 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.244 0.545 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.419 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -146.77 -3.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.021 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -80.08 155.13 75.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.611 0.243 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.483 ' HB2' ' OE1' ' A' ' 133' ' ' GLU . 21.0 Cg_exo -64.79 -20.17 64.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.649 2.233 . . . . 0.0 111.735 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.483 ' OE1' ' HB2' ' A' ' 132' ' ' PRO . 2.3 mp0 -112.58 19.51 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.207 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -44.03 -48.63 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.485 ' HA ' ' CE2' ' A' ' 138' ' ' TYR . . . -48.21 -45.55 34.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.036 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.18 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.04 -52.49 48.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 135' ' ' ALA . 2.8 p90 -65.12 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.93 -31.39 56.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.158 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.413 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.79 -32.11 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 98' ' ' LEU . 45.5 pt -97.54 -11.76 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.901 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.025 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.67 0.271 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 61.67 175.55 0.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.4 p -98.3 -23.29 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.7 -171.16 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.248 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 65.59 116.63 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.414 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 14.6 pt20 -156.62 103.82 1.98 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.984 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.21 7.49 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.899 2.4 . . . . 0.0 112.723 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.4 t -98.35 129.82 48.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.566 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 p -145.5 139.36 26.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.87 -178.8 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 37.2 t -159.7 148.59 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.809 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.22 120.4 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.195 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 14' ' ' ALA . 47.4 t -80.1 156.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 13' ' ' VAL . . . -58.95 159.72 6.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.21 -30.56 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.27 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -121.47 -19.6 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.687 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.2 ptm180 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.537 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.7 -21.95 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.7 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.51 -11.76 13.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.828 0.347 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -72.76 -44.07 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.65 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -56.69 -52.67 71.82 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 54.4 Cg_endo -69.96 -19.84 34.65 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.078 1.852 . . . . 0.0 111.77 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 m -76.68 -36.08 57.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.621 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.484 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.504 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -107.53 -40.62 5.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 133.88 141.87 4.6 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.0 -13.1 21.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.396 2.064 . . . . 0.0 112.211 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.6 mmm-85 -103.24 -45.89 4.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 26' ' ' PHE . 10.2 mp -59.8 -31.8 70.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.328 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.62 -35.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 21.7 ptm -99.7 -34.0 10.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.486 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 79.5 mtp180 -68.02 -17.36 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.596 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.43 -41.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.679 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' HG21 ' A' ' 38' ' ' VAL . 31.3 tt0 -58.65 -42.88 89.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.52 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -74.84 -23.98 58.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.379 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.631 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -78.2 -34.33 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.342 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 34' ' ' GLY . 6.2 m -71.66 -39.77 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -23.07 43.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.616 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -61.93 -41.15 97.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.6 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.3 m95 -78.39 -27.32 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.532 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.567 ' SD ' ' HB3' ' A' ' 96' ' ' ALA . 7.2 tpt -67.93 -46.07 72.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.063 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 10.6 ptm180 -67.26 -20.15 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 111.272 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.19 -52.68 9.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.029 0.443 . . . . 0.0 110.421 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 78' ' ' VAL . 32.1 mt -48.99 -20.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.362 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -137.41 120.07 16.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.514 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -65.63 -25.89 67.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.052 0.453 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.514 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 41.3 mmt180 -103.0 45.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -116.07 98.01 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.958 -179.391 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -76.45 -53.8 7.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.915 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.01 -178.53 44.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.418 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.95 171.34 7.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 111.357 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -89.05 93.27 9.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.37 77.53 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.455 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -48.88 137.27 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.313 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.678 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 16.6 m-85 -81.76 127.11 32.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 41.5 m-85 -120.99 141.53 50.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.58 113.32 23.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.033 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 63' ' ' GLY . 11.3 mt -88.46 149.75 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.2 m -65.55 -26.67 67.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.617 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.49 5.83 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.247 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.34 4.87 87.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.547 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -90.01 35.67 3.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.25 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 40.4 p90 -36.14 143.33 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.49 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.526 ' HB2' HG21 ' A' ' 97' ' ' THR . 8.6 p90 -137.61 172.05 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.627 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.6 mtp -122.44 143.78 49.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.33 128.05 13.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.152 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 31.1 Cg_endo -64.48 165.26 20.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.582 2.188 . . . . 0.0 111.808 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 12.0 t70 -122.26 78.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.503 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 71.7 mt -118.05 -179.44 3.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.389 0.614 . . . . 0.0 111.315 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.99 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.01 138.17 13.7 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.635 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 53.72 99.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 70' ' ' LEU . 21.9 mt -121.11 130.54 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.1 tt0 -61.46 98.31 0.08 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -121.62 106.37 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.197 0.522 . . . . 0.0 110.816 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -90.79 133.75 34.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.335 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.613 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -105.96 103.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.535 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.6 m-80 -59.98 -33.14 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.49 . . . . 0.0 109.881 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.26 -37.27 3.25 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 113.308 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.481 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -143.17 16.64 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.96 27.62 57.05 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 114.683 0.633 . . . . 0.0 114.683 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 63.1 t80 -88.45 98.27 11.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.021 0.91 . . . . 0.0 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 5.6 mpt_? -86.14 119.12 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.9 146.15 10.57 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.822 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 38.9 mt-10 -86.23 106.01 17.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.72 0.295 . . . . 0.0 110.491 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -117.74 147.91 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.7 p -65.31 159.04 24.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -62.99 -14.73 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.425 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -82.84 -57.39 3.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -72.83 -14.85 61.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.564 ' HB1' ' HE2' ' A' ' 42' ' ' MET . . . -91.65 -35.14 14.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.198 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.669 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -58.55 -20.05 44.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.935 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HB1' ' A' ' 128' ' ' ALA . 4.1 mm -67.14 -39.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.275 0.559 . . . . 0.0 109.699 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG13 HG21 ' A' ' 141' ' ' ILE . 56.0 t -76.79 -29.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.341 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.567 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -67.52 -46.82 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.608 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.526 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -74.29 -42.41 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.565 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.602 HD11 HD11 ' A' ' 141' ' ' ILE . 31.5 mt -53.6 -51.6 62.52 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.61 -28.86 64.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.738 0.304 . . . . 0.0 111.346 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.631 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.39 -36.82 77.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.648 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 93.6 mt -62.68 -44.27 96.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.044 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.23 -34.48 90.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.97 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.31 -42.28 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.09 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.41 HD23 HD22 ' A' ' 37' ' ' LEU . 96.2 mt -59.33 -44.16 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.599 ' HB1' HD11 ' A' ' 117' ' ' LEU . . . -62.28 -35.68 79.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.439 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.72 -15.89 40.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.792 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.81 -39.26 83.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 114' ' ' ALA . 23.1 pt -84.7 13.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 64.52 154.88 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.13 97.79 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.7 p -133.51 -81.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -140.11 -52.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.65 -7.06 29.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.459 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.558 ' C ' ' H ' ' A' ' 116' ' ' ALA . . . -87.62 167.22 14.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.15 -1.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.558 ' H ' ' C ' ' A' ' 114' ' ' ALA . . . -81.25 -51.33 8.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.625 HD23 ' C ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -19.31 65.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 117' ' ' LEU . 16.0 mm -58.52 -21.3 17.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.609 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -43.75 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.768 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.581 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 6.5 mpt_? -61.93 -37.93 86.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.626 ' HH ' HD12 ' A' ' 141' ' ' ILE . 29.6 t80 -54.86 -52.86 61.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -54.59 -33.56 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 25.3 m-85 -67.46 -57.7 6.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.4 tp -56.69 -52.96 62.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -47.82 -29.33 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.551 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.86 -27.63 45.33 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.531 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 61.4 t80 -73.38 -36.38 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.447 ' HB2' HG22 ' A' ' 137' ' ' ILE . . . -64.66 -12.71 49.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.394 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.74 -19.16 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.98 -5.41 64.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.319 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.436 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 21.2 m-70 -79.28 150.13 73.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.517 0.199 . . . . 0.0 110.911 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.553 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 45.1 Cg_exo -56.74 -35.87 98.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.449 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.553 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 8.3 mp0 -98.54 20.02 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 131' ' ' HIS . . . -41.34 -46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.84 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.543 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.66 76.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.629 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.447 HG22 ' HB2' ' A' ' 128' ' ' ALA . 97.1 mt -64.96 -52.14 57.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.4 -35.94 81.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.483 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.85 -30.89 62.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 110.027 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.441 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.71 -34.4 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.615 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.626 HD12 ' HH ' ' A' ' 121' ' ' TYR . 45.7 pt -94.78 -16.22 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.913 -179.783 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' H1 ' ' HB2' ' A' ' 4' ' ' GLU . 25.6 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.71 -59.75 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.6 p -119.69 2.57 11.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.783 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.534 ' HB2' ' H1 ' ' A' ' 1' ' ' MET . 20.4 mm-40 -82.69 1.68 37.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.108 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.31 147.4 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.633 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 11.1 pt20 -122.0 147.39 48.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.7 Cg_exo -67.78 4.92 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.932 2.421 . . . . 0.0 112.819 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.663 HG11 ' HG ' ' A' ' 60' ' ' SER . 58.9 t -99.49 128.69 50.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.268 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.41 140.93 25.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -79.65 177.06 9.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.3 t -155.49 155.64 33.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -89.32 117.94 28.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 14' ' ' ALA . 17.4 t -79.0 157.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -57.22 159.72 4.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.078 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.54 -30.86 61.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.97 0.11 55.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.381 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 24.0 mm-40 -119.24 -18.81 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 111.077 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.7 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -67.12 -28.24 67.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.304 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -77.37 -21.72 52.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.712 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -96.12 -15.46 22.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.069 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' O ' ' HB ' ' A' ' 24' ' ' THR . 14.0 t80 -65.79 -38.07 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -60.4 -56.84 31.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.529 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 32.2 Cg_endo -64.81 -18.86 63.71 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.788 1.659 . . . . 0.0 111.014 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 3.2 m -64.64 -52.61 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.215 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.63 -68.52 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.278 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.2 m-85 -46.44 -49.41 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.971 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.529 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 117.38 154.7 9.99 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.214 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.36 -8.43 12.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.339 2.026 . . . . 0.0 111.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HE ' ' HD2' ' A' ' 33' ' ' ARG . 7.9 tpt180 -100.11 -48.17 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.556 HD22 ' HD3' ' A' ' 33' ' ' ARG . 23.0 mt -62.63 -35.55 79.96 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.482 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 2.0 ptm -38.85 -29.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 25.8 ptm -103.53 -41.55 5.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.212 -0.305 . . . . 0.0 111.725 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HD3' HD22 ' A' ' 30' ' ' LEU . 17.4 ptm180 -81.86 -0.7 44.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.466 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -110.31 -49.76 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.032 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 31' ' ' MET . 4.1 mm-40 -63.2 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.32 61.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.892 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD21 ' HG ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -79.09 -35.19 42.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.701 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG23 ' SD ' ' A' ' 66' ' ' MET . 2.5 m -72.49 -39.42 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.102 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.11 52.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.481 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.1 -38.89 87.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.512 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 98.6 m95 -81.66 -31.6 32.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.439 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.568 ' HE1' ' HE2' ' A' ' 49' ' ' TYR . 13.0 tpt -68.74 -34.42 75.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -79.66 -16.64 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.695 0.283 . . . . 0.0 111.188 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.3 mtt180 -79.47 -54.38 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.792 HD21 ' HA ' ' A' ' 78' ' ' VAL . 48.3 mt -45.24 -23.16 0.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.302 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.8 t -121.68 137.99 54.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.855 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -80.24 -26.6 38.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 0.0 110.131 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.855 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 90.3 mtt180 -112.49 54.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.81 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.814 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.8 t80 -117.72 102.75 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.958 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.49 -29.28 18.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.321 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' HD23 ' A' ' 70' ' ' LEU . . . 155.44 178.51 29.74 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.58 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . . . -170.71 172.47 5.76 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.01 89.98 8.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.579 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.478 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -69.32 79.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.43 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.558 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -49.6 130.19 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.899 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.7 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.7 m-85 -81.88 129.97 34.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.439 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 49.2 m-85 -117.83 140.2 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.881 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -106.6 103.89 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.891 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.0 mt -80.89 150.17 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.663 ' HG ' HG11 ' A' ' 8' ' ' VAL . 87.1 p -65.7 -26.46 67.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' OD2' HG13 ' A' ' 8' ' ' VAL . 75.0 m-20 -75.8 -23.79 55.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 8.6 51.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.225 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.35 -47.49 12.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.493 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 8.0 m-85 64.92 130.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' HB2' HD11 ' A' ' 124' ' ' LEU . 3.9 p90 -138.12 157.5 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.37 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.533 ' HE2' ' HE1' ' A' ' 56' ' ' TYR . 37.6 mtp -110.24 143.9 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.66 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.84 112.78 9.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.209 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 50.7 Cg_exo -53.82 165.78 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.648 2.232 . . . . 0.0 112.174 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 14.3 t70 -130.59 79.12 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.107 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 51' ' ' GLY . 77.9 mt -105.76 177.54 4.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.05 -174.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.03 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.83 135.42 13.22 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.011 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 48.43 100.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 0.0 111.905 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -126.15 135.31 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.7 pt-20 -67.62 112.32 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 45' ' ' LEU . 1.9 mm -124.96 106.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.699 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.549 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 43.3 mt-10 -90.01 128.95 36.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.729 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.792 ' HA ' HD21 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -104.37 104.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.729 -179.348 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.5 m-80 -62.64 -32.61 73.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.44 -36.03 2.11 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.283 -0.871 . . . . 0.0 113.012 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.2 p30 -142.1 16.15 2.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.727 0.299 . . . . 0.0 110.871 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.89 56.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.243 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 77.8 t80 -91.73 103.2 15.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.808 0.804 . . . . 0.0 111.394 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.549 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.2 ttt180 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.049 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.58 142.92 6.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.322 -0.942 . . . . 0.0 113.116 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.9 mt-10 -78.34 126.02 30.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -132.75 165.86 23.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -78.8 148.41 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -22.85 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.4 -57.18 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -66.14 -13.57 60.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.512 ' CB ' ' HE3' ' A' ' 42' ' ' MET . . . -95.42 -33.01 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.113 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.91 -18.5 57.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.031 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.12 -40.26 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 109.79 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG11 HG23 ' A' ' 141' ' ' ILE . 48.6 t -80.04 -24.49 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.359 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 42' ' ' MET . . . -71.74 -48.72 45.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.483 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.4 t -74.45 -40.72 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.33 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 124' ' ' LEU . 13.9 mt -52.82 -48.97 66.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.298 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.437 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 10.8 m-85 -62.81 -35.4 79.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.071 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -57.51 -44.58 85.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.622 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 121' ' ' TYR . 78.0 mt -57.43 -40.01 77.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.44 -33.48 86.6 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.669 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -74.62 -47.24 33.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.782 ' HG ' HD21 ' A' ' 37' ' ' LEU . 38.3 mt -55.9 -40.13 72.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.424 ' CB ' HD12 ' A' ' 117' ' ' LEU . . . -67.83 -31.99 72.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.874 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.67 -21.95 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.386 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' OE2' HD22 ' A' ' 104' ' ' LEU . 41.1 mt-10 -69.21 -50.67 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.137 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 113' ' ' ALA . 26.9 pt -74.83 159.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.67 137.58 19.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.422 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 5.0 p-10 -96.44 17.2 16.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -84.96 -53.66 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.262 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.69 -42.38 3.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.989 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -93.25 -149.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . 65.07 -1.52 0.86 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.455 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' ALA . 31.3 t70 -127.5 -7.84 5.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.675 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.03 -54.11 4.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.771 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.97 -15.24 58.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.053 0.454 . . . . 0.0 110.342 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.588 ' N ' HD13 ' A' ' 117' ' ' LEU . 21.1 mm -67.84 -16.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.34 0.591 . . . . 0.0 110.226 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.05 -44.86 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -70.82 -30.69 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.214 -179.346 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.458 ' HA ' HD11 ' A' ' 101' ' ' LEU . 27.6 t80 -59.99 -46.22 90.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.483 ' CD2' HG22 ' A' ' 118' ' ' ILE . 91.6 m-70 -59.53 -39.36 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 23.5 m-85 -60.86 -53.57 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.479 ' HB3' HD22 ' A' ' 98' ' ' LEU . 1.2 tt -56.64 -51.99 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -48.41 -28.86 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.09 -26.81 35.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.12 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.501 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.4 t80 -71.78 -32.85 68.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.942 0.371 . . . . 0.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -66.24 -12.0 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.61 -25.38 38.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.32 -4.98 90.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 111.89 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -81.76 143.06 49.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.85 -34.21 91.62 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.731 2.287 . . . . 0.0 112.474 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.2 pm0 -96.74 17.03 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.61 -38.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.52 -45.13 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 111.474 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.35 68.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.571 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.461 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.9 mt -64.49 -53.79 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -64.34 -35.88 82.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.551 0.215 . . . . 0.0 111.481 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -72.76 -30.28 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.481 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.53 -35.17 80.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.576 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.747 HG23 HG11 ' A' ' 95' ' ' VAL . 44.2 pt -92.86 -13.64 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -102.61 137.4 40.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 t -120.53 -1.33 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 160.9 31.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -149.82 167.83 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.472 HE21 HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -146.28 99.04 4.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.466 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.14 4.58 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.0 2.467 . . . . 0.0 113.488 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG11 HE21 ' A' ' 6' ' ' GLN . 3.3 p -89.35 126.9 42.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.196 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.42 ' C ' HD23 ' A' ' 59' ' ' LEU . 68.1 p -146.92 139.38 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.088 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -88.42 -172.14 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 t -160.02 146.06 15.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.21 117.16 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.81 154.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 167.25 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.7 pt-20 -76.38 -28.3 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.13 -1.86 47.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 24.4 mm-40 -117.6 -19.0 9.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.774 ' NH2' ' HA ' ' A' ' 55' ' ' HIS . 13.4 ptm180 -67.77 -26.76 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.382 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -85.43 -21.66 28.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 11.7 t70 -97.39 -14.52 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' HB3' ' HE2' ' A' ' 56' ' ' TYR . 4.8 t80 -72.86 -30.95 64.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.5 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.828 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 0.9 OUTLIER -56.52 -57.36 23.9 Favored Pre-proline 0 N--CA 1.456 -0.157 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.495 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -67.88 -15.66 44.23 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.176 1.917 . . . . 0.0 111.406 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 4.6 m -67.71 -38.64 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -126.96 -69.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.225 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.15 -37.33 0.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.984 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 112.53 149.33 10.78 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 30.0 Cg_endo -63.63 -11.23 25.29 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.391 2.061 . . . . 0.0 112.016 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.64 ' HD3' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.89 -38.38 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.675 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.64 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.1 tp -71.64 -32.61 68.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.828 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.8 ptm -34.7 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 ptp -108.52 -35.74 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 61.4 mtt180 -74.69 -3.73 33.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.065 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -119.41 -44.54 0.47 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.184 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.757 ' HG3' ' HE2' ' A' ' 66' ' ' MET . 35.8 tt0 -60.45 -31.54 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.594 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -77.8 -21.33 51.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.74 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -82.11 -36.73 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.573 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.33 -37.59 71.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -25.27 43.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.66 -35.47 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.8 m95 -81.07 -31.74 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.586 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 2.0 tpt -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.549 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -21.49 40.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.356 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.5 mtt180 -75.29 -56.72 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.835 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.732 HD22 ' HA ' ' A' ' 78' ' ' VAL . 36.5 mt -47.11 -19.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.327 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.4 t -117.91 141.99 47.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.929 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.38 -29.15 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.228 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' H ' ' HG ' ' A' ' 46' ' ' CYS . 7.9 ptp180 -112.58 54.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.08 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -116.87 97.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.919 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.08 -40.21 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.0 166.01 33.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.439 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -152.1 152.53 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 0.0 111.219 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 91.07 3.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.944 0.402 . . . . 0.0 111.838 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -63.84 139.19 58.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.385 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.774 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.8 m-70 -118.96 120.97 38.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.635 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.668 ' HH ' HD11 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -74.8 127.19 32.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.958 0.409 . . . . 0.0 110.99 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.507 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.9 m-85 -121.67 140.12 52.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.213 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.692 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.33 114.39 27.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD11 ' O ' ' A' ' 63' ' ' GLY . 13.9 mt -89.11 152.45 21.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 -23.43 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.364 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.71 -5.15 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.93 68.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.261 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.558 ' O ' HD11 ' A' ' 59' ' ' LEU . . . -93.58 34.3 4.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.405 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.692 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 18.8 m-85 -30.48 134.37 0.06 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.603 0.361 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' HB2' HG21 ' A' ' 97' ' ' THR . 11.3 p90 -138.29 -178.13 5.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.757 ' HE2' ' HG3' ' A' ' 35' ' ' GLU . 56.1 mtp -136.84 148.76 47.31 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.748 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.66 133.88 11.32 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.545 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.623 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 45.5 Cg_endo -67.81 169.22 16.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.684 2.256 . . . . 0.0 112.156 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.566 ' C ' HD23 ' A' ' 70' ' ' LEU . 24.2 t70 -114.68 92.12 3.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 69' ' ' ASP . 3.0 mm? -133.94 112.0 10.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.07 109.37 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -157.76 23.55 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.834 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -110.95 116.88 31.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.012 0.434 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -114.71 124.69 52.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.127 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.94 106.29 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -116.31 111.34 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -90.21 124.3 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.623 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.732 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.8 t -103.54 102.77 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.419 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.84 -36.7 59.54 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.577 0.227 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.38 -24.1 0.34 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.053 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -144.4 8.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.24 12.34 57.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.878 -0.601 . . . . 0.0 113.218 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -81.47 95.86 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.983 0.391 . . . . 0.0 111.579 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 112.79 22.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.79 135.35 3.57 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.75 -1.214 . . . . 0.0 113.847 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' HA ' ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -66.74 150.4 49.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.094 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 15.5 tp -163.16 144.99 9.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.919 0.39 . . . . 0.0 111.12 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -66.5 159.37 27.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.623 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . . . -66.99 -12.04 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.214 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' O ' HD11 ' A' ' 94' ' ' ILE . 12.9 t70 -89.22 -26.37 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.731 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -105.51 -13.07 15.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.13 -38.9 9.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.654 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.576 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -56.91 -27.82 57.0 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.239 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.547 HG21 ' HB3' ' A' ' 128' ' ' ALA . 4.0 mm -62.51 -35.59 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 109.846 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.547 HG13 HG23 ' A' ' 141' ' ' ILE . 47.6 t -81.58 -28.25 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.25 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.55 -47.29 70.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.414 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.1 t -72.53 -42.35 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.44 -48.94 68.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.022 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.31 -30.71 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -68.33 -41.23 81.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.37 -39.29 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.935 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.92 -21.94 76.9 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.018 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.572 ' CD ' HD13 ' A' ' 37' ' ' LEU . 17.0 tt0 -83.91 -49.48 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -39.99 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.748 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -63.31 -32.7 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.69 -8.35 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.293 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.67 -52.0 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.6 pt -67.02 -32.49 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 54.39 86.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -146.22 -173.34 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -119.14 -6.83 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.46 -64.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.103 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.543 ' O ' HD13 ' A' ' 117' ' ' LEU . . . -69.28 -34.34 74.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.516 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.74 -9.61 38.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.356 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.93 -7.14 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.789 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.5 -49.05 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -70.75 -17.1 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.308 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.625 ' N ' HD12 ' A' ' 117' ' ' LEU . 8.5 mm -63.44 -34.56 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -43.24 63.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.839 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 117' ' ' LEU . 2.0 mpt_? -54.93 -37.04 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.017 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -67.12 -53.47 30.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -54.39 -36.66 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.424 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -75.04 -54.06 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.669 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.73 -56.3 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.792 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -45.71 -39.36 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.48 84.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.992 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.418 ' HA ' HG11 ' A' ' 8' ' ' VAL . 24.5 t80 -65.27 -35.86 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.547 ' HB3' HG21 ' A' ' 94' ' ' ILE . . . -73.66 -2.93 25.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.589 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.74 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.18 4.07 67.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.759 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.92 150.61 65.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 -31.08 94.9 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.583 2.189 . . . . 0.0 112.155 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -100.82 17.85 21.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.06 2.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -55.27 -44.85 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.587 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.42 69.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.745 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.486 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -67.18 -52.15 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.4 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.4 p90 -63.69 -36.06 82.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.519 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -72.99 -29.23 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -70.54 -33.43 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.708 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.547 HG23 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -94.82 -7.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -97.79 152.52 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.3 m -96.99 -18.91 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -112.51 138.44 49.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -143.04 158.2 43.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.407 HE22 ' HA ' ' A' ' 127' ' ' PHE . 13.4 pt20 -136.27 161.73 60.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 6' ' ' GLN . 86.2 Cg_exo -45.61 -74.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.753 2.302 . . . . 0.0 113.154 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 61' ' ' ASP . 8.3 t -66.81 121.25 15.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.314 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.533 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 74.3 p -138.44 138.78 38.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.822 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 170.47 13.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -156.89 158.21 36.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.49 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 55' ' ' HIS . 1.5 mt -90.18 123.46 34.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.119 0.485 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.25 152.64 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.198 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 153.43 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.85 -31.35 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.277 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.31 -1.79 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -121.16 -15.27 8.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 111.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -69.86 -25.24 63.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.556 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -71.35 -21.68 62.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.619 0.247 . . . . 0.0 111.367 -179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.7 t70 -107.8 -11.23 15.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.64 -42.36 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.682 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.563 HD23 ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -57.32 -52.46 74.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.729 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 58.6 Cg_endo -71.9 -17.1 29.1 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.337 2.025 . . . . 0.0 112.482 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 HG21 ' HD1' ' A' ' 25' ' ' TYR . 3.0 m -82.61 -35.46 27.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.128 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' HD1' HG21 ' A' ' 24' ' ' THR . 6.6 m-85 -101.66 -22.3 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -108.69 -41.17 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 0.0 110.577 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.38 140.28 4.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 20.3 Cg_endo -60.24 -17.29 45.51 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.465 2.11 . . . . 0.0 112.419 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -102.5 -36.39 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.129 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 34' ' ' GLY . 8.0 mp -70.46 -35.06 73.09 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.545 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.9 ppp? -34.49 -41.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 mtm -86.95 -47.02 9.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.883 0.373 . . . . 0.0 111.581 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' HD21 ' A' ' 104' ' ' LEU . 25.6 mmm180 -70.84 -5.7 32.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.683 ' HA2' HD13 ' A' ' 104' ' ' LEU . . . -109.53 -46.79 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 38' ' ' VAL . 11.7 pt-20 -60.73 -35.97 77.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 0.0 109.847 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.5 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.831 HD23 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -79.86 -35.97 37.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.785 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 39' ' ' TYR . 3.5 m -67.77 -42.33 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.551 ' N ' HG22 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.59 -23.38 59.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.457 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.27 94.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.4 m95 -80.27 -34.14 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.586 ' HA ' ' HE3' ' A' ' 42' ' ' MET . 0.3 OUTLIER -64.45 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.94 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.544 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -82.79 -12.26 57.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.692 0.282 . . . . 0.0 111.56 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -86.52 -52.84 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' HB3' HG23 ' A' ' 76' ' ' ILE . 15.4 mt -46.32 -24.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.564 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.694 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.2 t -127.94 130.07 47.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.788 0.328 . . . . 0.0 110.621 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.671 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -71.23 -26.08 62.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.671 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 46.4 mtp180 -109.78 49.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.694 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -115.28 95.88 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.975 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -77.44 -46.8 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.68 -171.01 35.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.75 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' A' ' 70' ' ' LEU . . . -177.67 179.56 0.9 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.013 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -87.4 95.58 10.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.038 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 78.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.343 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' HB3' HD22 ' A' ' 12' ' ' LEU . 85.9 m-70 -50.93 133.41 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.132 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 14.9 m-30 -83.5 124.88 31.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.944 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.5 m-85 -115.2 142.12 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.685 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 104.24 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 12.3 mt -74.96 145.84 42.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.9 t -64.76 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' HB2' HG23 ' A' ' 8' ' ' VAL . 8.7 m-20 -150.62 10.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.645 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -106.64 11.55 42.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 64' ' ' PHE . . . 79.44 -81.92 1.42 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.632 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 13.0 p90 177.97 142.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.586 ' HB2' HD11 ' A' ' 124' ' ' LEU . 1.4 p90 -135.94 150.44 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.563 ' SD ' HD23 ' A' ' 22' ' ' LEU . 22.6 mtm -112.94 144.87 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.963 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.06 136.51 15.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 32.8 Cg_endo -64.12 162.84 28.03 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.627 2.218 . . . . 0.0 112.289 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 20.0 t70 -111.11 85.94 2.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.184 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 25.7 mt -144.02 156.01 44.23 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.04 164.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.669 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.18 173.47 44.57 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.869 -1.158 . . . . 0.0 112.782 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 7.5 mpt_? 59.22 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.089 0.471 . . . . 0.0 110.581 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 73' ' ' ARG . 70.9 mt -133.16 130.53 39.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.587 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.7 mt-10 -56.56 108.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.5 mm -128.57 106.25 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.325 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 10.7 pt-20 -84.79 103.79 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.319 0.58 . . . . 0.0 109.866 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 140' ' ' ALA . 16.8 t -81.16 92.91 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.18 -34.39 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.74 -26.7 0.29 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.112 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -151.99 13.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.61 17.89 69.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.385 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.538 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 33.4 t80 -80.07 90.29 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.056 0.428 . . . . 0.0 111.397 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -78.85 106.4 10.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.84 144.31 10.59 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.531 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 42.8 mt-10 -81.36 109.08 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 91' ' ' ALA . 13.6 tp -117.02 155.66 28.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.19 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -76.87 156.76 31.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -24.31 57.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.08 -57.22 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HB2' ' HG ' ' A' ' 87' ' ' LEU . . . -70.19 -12.72 61.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.33 -38.14 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.525 ' O ' HG21 ' A' ' 97' ' ' THR . . . -58.95 -19.21 43.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.345 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.494 HG21 ' HB1' ' A' ' 128' ' ' ALA . 2.6 mm -70.58 -43.66 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.541 HG13 HG21 ' A' ' 141' ' ' ILE . 43.2 t -74.66 -21.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 38' ' ' VAL . . . -76.25 -48.92 18.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.349 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.525 HG21 ' O ' ' A' ' 93' ' ' GLY . 3.2 t -71.25 -40.33 71.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 124' ' ' LEU . 24.2 mt -58.54 -50.41 73.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.357 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.413 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 2.8 m-85 -58.06 -35.34 71.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.743 0.306 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -66.68 -39.65 88.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 97' ' ' THR . 88.7 mt -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.77 82.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.195 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.3 -47.94 21.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.795 0.297 . . . . 0.0 111.164 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.831 ' HG ' HD23 ' A' ' 37' ' ' LEU . 93.5 mt -61.0 -45.88 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.98 -35.06 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.41 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.28 -9.12 34.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.743 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -78.79 -36.94 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 108' ' ' ILE . 23.2 pt -77.59 111.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.5 91.13 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.447 ' OD2' ' HB ' ' A' ' 108' ' ' ILE . 3.1 p30 -175.46 -171.14 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.716 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.8 t -141.1 10.81 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.88 -55.69 2.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.12 -1.51 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 108' ' ' ILE . . . -86.04 -7.62 58.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.12 -11.05 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.5 -48.36 17.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -75.22 -17.41 60.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.378 . . . . 0.0 110.508 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 117' ' ' LEU . 6.3 mm -55.63 -29.04 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.197 0.522 . . . . 0.0 110.207 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -46.57 79.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.174 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 6.3 mmt180 -51.8 -39.18 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.085 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.412 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.5 t80 -71.66 -54.53 10.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.067 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -53.06 -29.66 31.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.645 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 24.2 m-85 -89.05 -51.71 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.674 0.273 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 65' ' ' TYR . 4.9 tt -50.07 -57.98 6.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -47.47 -38.03 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.724 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.0 80.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.7 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.533 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 81.0 t80 -64.63 -38.41 90.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 94' ' ' ILE . . . -65.16 -11.46 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.599 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.56 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.21 2.01 80.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.407 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -75.09 149.5 85.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.626 0.251 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.13 -10.21 26.38 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.736 2.291 . . . . 0.0 112.442 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -129.77 20.1 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.64 1.53 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.563 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.48 -43.91 45.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -76.35 -39.85 52.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.836 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 128' ' ' ALA . 84.6 mt -62.71 -55.8 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.7 p90 -63.43 -34.36 77.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.565 0.222 . . . . 0.0 111.515 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 12.7 ptm180 -74.72 -28.55 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.446 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.94 -35.29 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.592 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.541 HG21 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -91.06 -10.4 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.997 179.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.9 114.97 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -141.1 17.65 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -126.53 -156.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.969 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 68.85 144.9 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -125.97 133.09 24.59 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.146 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.41 -18.1 43.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.506 2.137 . . . . 0.0 112.086 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 HG13 ' OG ' ' A' ' 60' ' ' SER . 50.2 t -107.14 136.27 42.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.69 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.1 p -146.53 140.84 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.607 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . . . -88.07 179.68 6.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.479 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.2 t -151.89 152.19 32.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 13' ' ' VAL . 2.8 tm? -86.33 133.76 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.728 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' N ' HD11 ' A' ' 12' ' ' LEU . 60.9 t -101.89 144.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.344 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -48.01 148.25 1.78 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.4 pt-20 -70.53 -22.37 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.73 2.32 38.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.72 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 18.2 mm-40 -119.14 -20.61 7.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.091 0.472 . . . . 0.0 110.499 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.672 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 28.1 ptt180 -72.66 -17.47 61.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.161 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.608 HD11 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.47 -22.6 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.508 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.608 ' N ' HD11 ' A' ' 19' ' ' LEU . 18.9 t70 -120.13 -18.4 8.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.75 -38.42 90.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.679 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.78 -53.46 43.18 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.064 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HB2' ' HA ' ' A' ' 28' ' ' PRO . 58.5 Cg_endo -71.18 -14.96 31.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.388 2.059 . . . . 0.0 112.442 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -80.39 -32.3 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.701 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -107.42 -27.25 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.617 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' O ' HD21 ' A' ' 30' ' ' LEU . 1.4 t80 -97.57 -42.68 7.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.72 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . 140.33 136.73 3.37 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.495 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.516 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 15.6 Cg_endo -57.23 -19.12 32.89 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.527 2.151 . . . . 0.0 111.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -97.95 -39.86 8.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 179.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.72 HD21 ' HA3' ' A' ' 27' ' ' GLY . 1.5 mm? -69.36 -35.57 75.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.539 ' HA ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.86 -39.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.8 ptm -101.73 -36.72 8.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.853 0.359 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 30.1 mmm180 -71.8 -12.29 61.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.315 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -104.15 -44.97 1.53 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.081 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.7 pt-20 -60.01 -36.09 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 0.0 110.074 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.56 -19.15 60.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.883 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 2.2 mt -84.41 -41.07 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.806 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 35' ' ' GLU . 4.4 m -61.81 -36.62 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.406 . . . . 0.0 110.369 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.89 -22.99 36.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.256 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.03 93.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.835 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.437 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 92.0 m95 -78.72 -32.91 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.68 ' HE2' ' HB2' ' A' ' 92' ' ' ALA . 9.9 tpt -63.62 -43.84 95.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 15.5 ptm180 -68.74 -18.44 64.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 39.5 mtp180 -81.6 -19.81 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 110.666 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 65.9 mt -80.91 -25.96 37.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.377 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.964 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -123.28 152.59 41.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.297 . . . . 0.0 110.3 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.48 -18.95 25.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.544 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -117.92 12.64 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 111.503 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.964 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.1 t80 -67.47 93.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.621 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.488 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.9 OUTLIER -72.96 -25.12 60.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.599 179.077 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.79 130.98 6.25 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.76 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.37 -164.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -93.07 102.59 14.92 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.76 79.3 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 56.9 m-70 -50.35 134.6 23.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.672 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 17.9 m-30 -78.16 133.0 37.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.236 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 43.2 m-85 -121.36 145.66 47.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.9 95.36 5.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.678 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.8 mt -70.17 151.34 45.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.464 ' OG ' HG13 ' A' ' 8' ' ' VAL . 79.2 p -67.51 -29.16 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.208 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.484 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . 81.8 m-20 -72.31 -19.93 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.01 20.64 30.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.18 -42.11 5.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.38 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.7 m-85 64.74 126.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' HB2' HG22 ' A' ' 97' ' ' THR . 3.9 p90 -136.42 161.32 36.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.239 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.543 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 66.6 mtp -114.22 134.09 55.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HB1' ' CE2' ' A' ' 65' ' ' TYR . . . -127.16 130.65 23.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.25 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.86 155.75 58.1 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.455 2.103 . . . . 0.0 111.712 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' HB2' ' HE2' ' A' ' 55' ' ' HIS . 20.6 t70 -101.77 87.71 3.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.179 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.626 ' HB2' HD13 ' A' ' 74' ' ' LEU . 93.3 mt -143.55 118.95 10.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.998 0.428 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.95 113.76 27.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.11 -159.38 27.03 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.623 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -100.27 104.1 15.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 110.538 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 70' ' ' LEU . 52.8 mt -91.99 98.96 11.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.548 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 41.0 tt0 -65.98 93.52 0.2 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.511 HD12 ' HB2' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -97.48 154.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.115 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -130.17 91.39 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.75 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.98 98.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.963 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 44' ' ' ARG . 2.0 m-80 -69.77 -37.13 76.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 0.0 111.161 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.98 -24.52 0.53 Allowed Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.725 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.507 ' OD1' ' HB3' ' A' ' 83' ' ' PHE . 29.1 p30 -142.75 5.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.992 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.29 18.79 65.64 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.731 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.507 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 13.6 t80 -86.78 100.08 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.511 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -82.87 106.09 14.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.12 137.65 8.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.622 -1.275 . . . . 0.0 114.199 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.548 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 33.9 mt-10 -89.72 118.85 29.63 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -138.7 167.53 21.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 0.0 111.453 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -75.55 -168.89 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.151 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -90.78 -21.46 21.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 -57.95 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.48 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.596 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.68 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -98.37 -33.66 10.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.416 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.593 ' O ' HG21 ' A' ' 97' ' ' THR . . . -61.77 -22.75 62.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.385 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.598 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -64.91 -40.99 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.517 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 141' ' ' ILE . 44.3 t -77.39 -28.49 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.787 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.539 ' HB3' ' SD ' ' A' ' 42' ' ' MET . . . -69.04 -48.81 61.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -77.21 -40.2 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.2 tp -50.5 -55.68 14.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.408 ' HE1' HG22 ' A' ' 141' ' ' ILE . 22.7 m-85 -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.651 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -65.05 -42.98 93.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.306 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.81 -26.36 71.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.857 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.17 -45.29 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.67 0.271 . . . . 0.0 111.041 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 37' ' ' LEU . 34.8 mt -59.14 -45.98 89.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' A' ' 117' ' ' LEU . . . -57.28 -35.08 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.441 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.17 37.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.684 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.63 -34.38 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.347 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.529 HD11 ' HA ' ' A' ' 114' ' ' ALA . 43.7 pt -66.52 -12.31 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.413 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 69.47 -71.1 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.672 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -43.97 137.23 3.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.896 0.379 . . . . 0.0 111.304 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.2 p -90.27 9.79 27.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.313 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.23 -58.19 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -104.05 8.17 36.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.223 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.529 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -69.78 -4.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -121.26 -5.54 9.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.228 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.53 -54.69 4.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.606 0.241 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.615 HD11 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.19 -16.47 60.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 0.0 110.026 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.615 ' N ' HD11 ' A' ' 117' ' ' LEU . 9.8 mm -63.07 -29.76 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -45.42 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.884 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -57.72 -39.49 77.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.68 -50.41 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.589 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -63.22 -31.42 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 61' ' ' ASP . 19.9 m-85 -66.01 -56.85 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.714 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.473 HD13 ' HB3' ' A' ' 65' ' ' TYR . 34.5 tp -61.54 -41.6 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.51 HH11 HD21 ' A' ' 98' ' ' LEU . 15.8 tpt180 -42.08 -34.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 129' ' ' ALA . . . -52.49 -43.14 58.35 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.393 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.425 ' C ' ' H ' ' A' ' 129' ' ' ALA . 41.2 t80 -57.84 -40.81 80.95 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.594 ' HA ' ' CD2' ' A' ' 131' ' ' HIS . . . -83.77 21.62 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.843 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 126' ' ' GLY . . . -120.87 11.89 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.42 14.28 0.12 Allowed Glycine 0 CA--C 1.516 0.114 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.587 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.615 ' H ' ' ND1' ' A' ' 131' ' ' HIS . 0.0 OUTLIER -61.8 140.05 95.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.75 -15.94 21.16 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.548 2.165 . . . . 0.0 110.156 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -111.53 17.57 19.91 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.326 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.614 ' HB1' ' ND1' ' A' ' 131' ' ' HIS . . . -32.56 -47.24 0.15 Allowed 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.441 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -45.12 -51.1 10.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.938 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.74 ' HA ' ' HE ' ' A' ' 139' ' ' ARG . . . -73.07 -41.16 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.93 -50.19 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 134' ' ' ALA . 1.9 p90 -64.83 -41.14 95.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.74 ' HE ' ' HA ' ' A' ' 136' ' ' ALA . 29.1 ptt180 -71.48 -25.83 62.44 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.832 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.429 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -77.21 -35.7 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.944 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.636 HG22 HG12 ' A' ' 95' ' ' VAL . 2.8 pp -85.98 -17.75 9.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.365 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 CA--C 1.518 -0.295 0 CA-C-O 121.314 0.464 . . . . 0.0 112.787 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 t -84.02 130.55 35.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.151 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 75.6 p -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.29 168.31 19.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -148.59 160.78 42.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.27 117.63 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.018 0.437 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 148.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.69 152.39 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.384 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 11.9 pt-20 -74.83 -29.54 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.11 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.71 -3.73 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.93 -17.0 9.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 56' ' ' TYR . 17.3 ptm180 -70.69 -20.21 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -25.55 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.624 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 14.4 t70 -113.54 -15.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.397 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.68 -41.46 96.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.598 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -62.76 -54.25 49.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.072 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 56.1 Cg_endo -70.05 -12.84 33.11 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.231 1.954 . . . . 0.0 112.296 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 m -86.87 -33.45 19.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -98.26 -27.07 14.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.467 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.605 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -104.37 -44.34 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.395 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 142.89 140.34 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.162 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -58.42 -18.24 37.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HE ' ' NE ' ' A' ' 33' ' ' ARG . 7.7 tpt180 -101.27 -35.45 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.247 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 26' ' ' PHE . 87.8 mt -72.38 -28.69 63.17 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.615 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.28 -36.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.655 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.2 ptp -97.62 -36.76 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' NE ' ' HE ' ' A' ' 29' ' ' ARG . 98.9 mtt180 -65.27 -21.51 66.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -102.42 -41.76 2.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.996 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.655 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -57.75 -40.03 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.334 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.31 -23.95 54.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.677 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.851 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.71 -35.39 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.6 m -70.94 -41.47 77.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -73.45 -26.15 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.593 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.26 96.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.735 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.9 m95 -76.22 -32.62 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.585 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 6.5 tpt -60.57 -52.43 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.585 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -62.36 -9.17 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.461 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.37 -34.09 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 78' ' ' VAL . 19.1 mt -67.72 -29.95 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.8 t -124.09 133.88 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.697 0.284 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.78 -25.73 56.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -112.64 49.79 0.91 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.783 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -112.81 94.4 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.296 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.84 -58.78 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.08 -172.99 42.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -177.58 179.89 0.88 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.97 100.04 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.95 79.29 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.569 ' HA ' HH22 ' A' ' 18' ' ' ARG . 90.5 m-70 -49.55 145.02 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 11.4 m-30 -89.06 128.77 35.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 49.6 m-85 -117.96 141.86 47.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 131.72 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.52 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 124' ' ' LEU . 16.6 mt -110.55 141.8 43.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.056 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.4 m -78.2 -12.73 60.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.855 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 1.4 p30 -69.19 -21.38 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.1 4.23 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.338 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.29 5.79 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 28.1 p90 -177.27 156.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.629 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -139.15 158.33 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.263 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.482 ' CE ' HG21 ' A' ' 38' ' ' VAL . 14.7 mtm -118.16 141.46 48.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.42 126.93 19.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.6 Cg_exo -59.41 161.8 16.23 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.463 2.109 . . . . 0.0 111.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 89.42 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.28 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 74' ' ' LEU . 95.5 mt -142.18 113.81 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.981 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 113.81 25.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -159.68 26.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.608 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -97.22 102.21 13.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 70' ' ' LEU . 85.1 mt -88.62 105.02 17.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.099 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 42.5 tt0 -65.66 88.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 46' ' ' CYS . 5.1 mm -106.14 105.17 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.644 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.08 101.05 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.227 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 115.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.754 -179.059 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.35 -30.34 64.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.076 0.465 . . . . 0.0 109.85 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.97 -35.72 8.25 Favored Glycine 0 C--N 1.333 0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.226 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.1 p30 -140.76 12.4 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.982 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 26.17 59.45 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 114.134 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 44.3 t80 -84.5 103.7 13.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 117.741 0.77 . . . . 0.0 111.185 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -89.67 113.07 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.394 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.11 141.14 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.687 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 44.8 mt-10 -80.29 124.13 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 87' ' ' LEU . 3.9 mm? -123.63 169.26 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -86.05 160.22 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.733 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.38 -26.59 42.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.62 -57.79 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.725 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.54 60.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.742 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.46 -34.08 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.46 -20.63 59.15 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.419 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.19 -45.82 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.269 0.557 . . . . 0.0 110.284 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 141' ' ' ILE . 22.7 t -71.91 -27.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.585 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.46 -48.09 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.751 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -72.85 -39.66 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.403 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.2 mt -56.58 -51.98 66.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.1 m-85 -57.16 -32.01 65.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.481 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.12 -41.7 85.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 91.4 mt -58.97 -43.06 91.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.39 72.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.265 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -85.45 -45.29 11.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.877 0.339 . . . . 0.0 111.271 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.851 ' HG ' HD22 ' A' ' 37' ' ' LEU . 28.3 mt -61.99 -37.59 85.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.04 -37.65 88.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.358 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.34 -9.46 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.886 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -179.649 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.7 mm -62.16 -31.38 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.77 -45.81 70.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.944 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -57.14 -38.45 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.99 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 15.7 t80 -60.63 -52.01 66.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -65.35 -32.67 74.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.435 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.528 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 10.2 m-85 -65.68 -52.2 53.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 59' ' ' LEU . 54.4 tp -67.85 -43.98 78.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.29 -35.98 13.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.335 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.7 -31.17 60.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.649 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 35.2 t80 -69.84 -30.81 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -61.33 -23.53 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.924 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.31 58.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.85 -8.0 87.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 21.1 m-70 -81.25 146.82 59.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.617 0.246 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 25.1 Cg_exo -62.83 -21.85 73.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.677 2.251 . . . . 0.0 111.946 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.3 15.45 28.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.605 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.17 -45.39 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.06 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.77 -47.71 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.798 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -73.58 -38.4 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.423 HG21 ' HB1' ' A' ' 128' ' ' ALA . 92.3 mt -65.17 -52.87 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.58 -36.17 83.35 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 14.4 ptm180 -73.19 -28.17 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 109.963 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.72 -34.42 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -93.77 -13.75 8.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 121.39 0.496 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG11 ' HB2' ' A' ' 61' ' ' ASP . 64.6 t -67.07 130.33 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.28 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.493 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 81.3 p -145.55 140.34 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.11 177.14 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.008 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.2 t -161.87 160.75 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.66 118.72 30.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.12 153.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -51.85 152.05 3.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.5 pm0 -65.43 -31.94 73.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.61 -2.81 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.549 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 14.7 mm100 -111.69 -16.97 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 13.8 ptm180 -71.96 -27.36 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.8 pp -71.39 -27.09 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.0 t70 -101.97 -9.42 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.549 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.1 t80 -62.53 -38.72 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.171 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 4.0 mm? -58.68 -58.35 19.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.181 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 35.6 Cg_endo -66.56 -10.41 27.77 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 121.85 1.7 . . . . 0.0 111.234 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 2.7 m -76.15 -39.09 55.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.069 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' HE2' ' HE ' ' A' ' 120' ' ' ARG . 12.3 t80 -122.46 -71.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -41.72 -38.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 114.63 145.87 8.96 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 17.8 Cg_endo -59.6 -12.84 18.89 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.408 2.072 . . . . 0.0 111.975 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -99.9 -43.74 6.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.587 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.677 ' HB3' ' HD2' ' A' ' 26' ' ' PHE . 10.9 mp -68.38 -28.32 67.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.4 ptm -32.66 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.4 ptt? -101.39 -36.34 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.705 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 74.5 mtp180 -67.26 -21.36 65.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.302 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.547 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -99.95 -45.32 2.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.877 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -58.47 -36.46 73.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.88 0.372 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.41 -30.72 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.66 -33.22 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.0 m -76.4 -39.45 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.322 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -77.27 -22.49 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.5 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.18 92.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.808 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 97.4 m95 -84.02 -31.05 25.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -59.47 -25.84 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.324 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -92.26 -17.52 24.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -82.38 -6.34 59.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 78' ' ' VAL . 16.4 mt -94.23 -25.98 16.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.0 t -129.92 127.31 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.614 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.744 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.4 pt-20 -68.83 -25.19 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.744 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 62.8 mtm180 -108.12 47.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.6 t80 -115.04 95.9 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.171 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -72.51 -49.25 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.23 -172.04 35.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' H ' ' A' ' 69' ' ' ASP . . . -176.25 177.44 1.53 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.685 0.279 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.84 95.72 10.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.21 75.94 0.98 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.072 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.1 m-70 -49.67 141.11 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 24.5 m-85 -85.38 128.78 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 42.6 m-85 -115.19 139.85 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -108.45 105.65 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.957 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 7.5 mt -79.65 150.81 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -76.52 -5.44 47.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.94 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HB2' HG11 ' A' ' 8' ' ' VAL . 9.6 t0 -97.84 -34.67 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.75 0.309 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.94 12.1 6.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.374 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.83 -53.01 4.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.224 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.732 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 29.3 m-85 65.34 124.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.955 0.407 . . . . 0.0 110.756 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.7 p90 -135.26 167.92 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.499 ' HE2' HG21 ' A' ' 38' ' ' VAL . 75.8 mtp -122.92 141.78 51.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.58 130.63 18.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 31.2 Cg_endo -64.71 161.84 34.13 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 23.1 t70 -103.73 84.39 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.803 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 63.0 mt -137.46 109.86 7.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 111.53 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.511 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.29 -173.44 22.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.632 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.89 116.36 29.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.262 0.553 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 70' ' ' LEU . 3.0 mp -118.92 127.45 53.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.52 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 71.9 mm-40 -68.26 107.53 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.1 mm -114.78 106.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.025 0.44 . . . . 0.0 111.025 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 8.3 pt-20 -94.29 96.54 9.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.635 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.753 HG12 HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -71.91 104.53 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.663 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -62.29 -32.39 73.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.34 -35.73 2.8 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.984 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p30 -141.08 13.61 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.92 0.39 . . . . 0.0 110.728 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.15 29.11 59.37 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.873 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 72.0 t80 -89.87 101.11 13.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 117.649 0.724 . . . . 0.0 111.074 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -85.5 115.03 22.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.55 145.56 9.14 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.706 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.52 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 9.0 pt-20 -79.13 127.47 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.4 tp -138.51 150.9 46.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 t -71.21 158.24 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -61.27 -18.34 57.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.88 -58.16 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -15.2 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.364 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.08 13.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.367 . . . . 0.0 110.221 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.97 -17.34 43.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.183 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mm -73.42 -34.42 42.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 141' ' ' ILE . 76.4 t -82.68 -26.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.46 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -71.27 -48.67 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 111.64 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.66 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -71.73 -42.16 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 98' ' ' LEU . 19.9 mt -56.7 -47.81 79.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 3.4 m-85 -59.36 -31.72 69.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.56 -41.14 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.9 mt -57.98 -41.82 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.23 89.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.379 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.625 ' NE2' HD11 ' A' ' 37' ' ' LEU . 24.1 tt0 -77.16 -48.17 18.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.876 0.338 . . . . 0.0 111.298 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.34 -33.22 67.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -75.07 -30.35 60.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.32 -13.84 34.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.58 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.898 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.0 mm -65.47 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -41.22 64.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.831 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -61.15 -38.3 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.94 -48.66 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.755 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -61.46 -28.26 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -73.04 -53.5 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 65' ' ' TYR . 47.8 tp -63.92 -44.59 92.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.058 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -47.08 -37.99 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.05 -32.55 73.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.98 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 68.8 t80 -73.55 -27.21 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.667 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.31 -27.22 69.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.53 -22.93 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.43 67.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -68.45 151.68 97.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.41 -12.31 35.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.473 2.116 . . . . 0.0 111.703 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -121.96 25.23 9.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.543 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -45.57 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.805 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -56.83 -44.53 82.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.09 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 111.733 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.407 HG21 ' HB1' ' A' ' 128' ' ' ALA . 95.9 mt -66.91 -53.03 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.2 -34.83 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.351 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.16 -31.97 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.053 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.49 -35.7 81.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 95' ' ' VAL . 45.3 pt -94.25 -12.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.99 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.059 -179.772 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 CA--C 1.518 -0.315 0 CA-C-O 121.297 0.457 . . . . 0.0 113.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 60' ' ' SER . 48.4 t -63.9 135.16 28.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.423 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -148.94 144.26 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -85.85 178.42 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.0 t -157.23 166.94 31.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' NH2' ' A' ' 18' ' ' ARG . 15.3 tp -94.68 133.0 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -99.44 146.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 147.7 52.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 12.7 pt-20 -61.42 -31.01 70.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.457 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 22.9 mm-40 -114.82 -10.5 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' NH2' HD11 ' A' ' 12' ' ' LEU . 31.6 mtt180 -68.23 -31.07 70.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.5 pp -64.44 -23.3 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.274 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.639 ' N ' HD12 ' A' ' 19' ' ' LEU . 22.9 t70 -114.22 -14.52 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.7 t80 -64.77 -39.2 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.698 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -61.41 -54.7 50.19 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' C ' ' A' ' 20' ' ' ASP . 55.0 Cg_endo -70.59 -13.91 32.98 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.205 1.937 . . . . 0.0 112.228 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.0 m -81.13 -39.0 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.766 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 24' ' ' THR . 13.6 m-85 -101.04 -25.56 14.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -103.26 -36.69 7.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.01 147.14 7.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.153 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.31 -17.98 49.98 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.449 2.099 . . . . 0.0 112.009 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -96.72 -43.37 7.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.462 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' MET . 10.2 mp -70.49 -26.94 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.664 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -30.61 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 26.1 ptm -100.15 -34.41 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.595 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 29' ' ' ARG . 39.0 mmt180 -63.45 -31.54 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.288 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.505 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -95.75 -40.81 4.02 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.656 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 13.0 tp10 -53.08 -41.79 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 110.097 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.48 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -82.36 -22.76 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.42 -39.71 77.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.33 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -71.72 -40.25 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.28 -22.11 58.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.428 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.94 -44.4 92.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.276 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.463 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -73.63 -33.49 64.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.578 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.6 tpt -62.42 -45.44 93.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.514 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -68.12 -12.11 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.987 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.9 mtt180 -87.32 -19.0 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.447 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 76' ' ' ILE . 7.7 mt -84.86 -25.21 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.543 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.894 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.1 t -119.57 155.53 32.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.487 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.38 -20.1 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -114.89 14.67 17.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.894 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -69.44 90.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.03 0.443 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -81.64 -21.06 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.174 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.7 173.84 20.51 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -168.06 168.19 12.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.833 0.349 . . . . 0.0 111.386 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -86.93 90.71 8.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -71.61 78.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.491 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 91.8 m-70 -54.26 146.78 14.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 6.3 m-30 -92.05 135.1 34.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.022 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.3 m-85 -122.35 142.83 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.661 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.43 108.79 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 9.6 mt -86.15 154.14 21.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.615 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.2 t -62.98 -30.77 71.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.362 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' OD2' HG21 ' A' ' 8' ' ' VAL . 75.2 m-20 -84.17 -0.91 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.9 8.76 87.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.251 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -60.92 -46.65 94.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.351 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.8 t80 62.49 118.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.033 0.444 . . . . 0.0 111.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.582 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.2 p90 -133.5 153.89 51.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.427 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 34.8 mtm -114.86 142.18 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.12 139.4 31.74 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.477 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 42.6 Cg_endo -67.42 162.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.51 2.14 . . . . 0.0 111.77 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.613 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.8 t70 -104.14 86.68 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -139.81 105.07 5.03 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.314 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 115.51 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.11 -152.74 21.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -115.03 118.31 33.05 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 110.733 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -126.04 125.12 42.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 10.0 pt-20 -63.14 112.26 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.217 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -125.56 105.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.5 pt-20 -79.84 124.54 28.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.854 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 140' ' ' ALA . 45.5 t -90.97 90.15 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.258 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -74.71 19.16 0.14 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.657 0.265 . . . . 0.0 111.362 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -94.01 -20.04 31.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.265 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -155.69 11.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.501 -0.349 . . . . 0.0 110.715 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.25 17.99 79.73 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.093 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.5 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 50.1 t80 -86.76 93.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.25 111.4 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.638 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.43 138.0 5.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.549 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 34.8 mt-10 -70.53 137.03 49.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.1 148.17 29.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.906 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.8 m -63.28 -170.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -88.44 -18.29 28.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.247 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -83.57 -58.68 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.731 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -65.28 -18.51 65.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.665 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.12 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 97' ' ' THR . . . -56.91 -20.42 33.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.418 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.46 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.149 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 141' ' ' ILE . 39.0 t -75.2 -29.42 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.34 -46.53 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.546 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -73.36 -42.94 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.424 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' HG ' HD23 ' A' ' 124' ' ' LEU . 37.1 mt -55.43 -50.35 70.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.011 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.1 m-85 -57.65 -31.25 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.945 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -70.05 -40.3 75.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.002 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.71 -42.78 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.205 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.43 76.36 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.614 . . . . 0.0 113.592 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 37' ' ' LEU . 52.9 tt0 -79.49 -47.73 15.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.985 0.392 . . . . 0.0 111.45 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.505 HD11 ' HA2' ' A' ' 34' ' ' GLY . 85.1 mt -56.93 -23.63 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.064 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -81.98 -35.24 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 -9.5 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 105' ' ' ALA . 3.2 pp . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.018 0.437 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.4 mm -49.92 -29.35 5.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.7 -41.85 56.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.899 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -59.24 -38.62 80.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -57.17 -55.96 27.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -57.63 -37.6 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -59.77 -56.38 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.514 HD23 ' HG ' ' A' ' 98' ' ' LEU . 61.4 tp -62.28 -46.19 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.219 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -44.09 -37.82 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.377 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.28 -34.58 75.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.997 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -67.41 -28.57 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.987 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.72 -31.14 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.93 -27.1 67.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.39 -12.18 84.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.076 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 55.9 m-70 -85.98 149.04 49.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.501 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 21.7 Cg_exo -64.88 -33.51 52.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.68 2.253 . . . . 0.0 112.083 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.2 mp0 -89.65 15.8 8.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.15 -44.42 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.186 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.28 71.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.78 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.575 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -64.82 -53.04 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -64.59 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.4 -33.07 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.319 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.07 -34.84 78.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.704 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.521 HG22 HG13 ' A' ' 95' ' ' VAL . 47.0 pt -92.51 -14.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.027 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 113.026 0.356 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 61' ' ' ASP . 62.0 t -121.6 136.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.505 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 77.5 p -146.87 142.35 27.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -87.68 -179.56 6.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 111.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 41.2 t -157.81 165.62 34.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.718 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.74 119.8 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 14' ' ' ALA . 23.8 t -78.82 155.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -55.99 155.32 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.78 -25.93 62.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.367 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.02 -1.63 51.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.747 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm-40 -121.38 -14.87 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.658 0.266 . . . . 0.0 111.487 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 16.7 ptm180 -71.05 -21.13 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.82 -17.61 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.998 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.1 t70 -115.73 -9.57 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 7.7 t80 -72.99 -42.66 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -59.95 -51.37 81.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.738 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 57.6 Cg_endo -71.01 -16.39 32.32 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.237 1.958 . . . . 0.0 111.937 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 25' ' ' TYR . 1.8 m -80.27 -32.21 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.235 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 23.7 m-85 -105.51 -20.61 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -108.78 -39.28 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.486 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.51 140.21 4.08 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.756 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 24.0 Cg_endo -61.03 -16.41 45.42 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.9 tpt180 -99.51 -34.73 10.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 8.5 mp -75.63 -28.86 58.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -31.67 -38.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.6 -31.39 10.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.392 . . . . 0.0 110.672 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 30.8 mmm180 -72.78 -13.59 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -108.87 -44.48 1.11 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.361 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -58.94 -34.57 71.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 110.02 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -79.31 -21.7 45.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.15 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.658 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -78.47 -38.16 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.1 m -68.97 -39.05 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.108 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -79.18 -19.58 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -66.27 -36.56 83.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.553 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.7 m95 -81.16 -33.01 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.717 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.489 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 42.7 tpp -65.07 -45.97 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' CE2' ' A' ' 39' ' ' TYR . 8.6 ptm180 -65.49 -17.77 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.402 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 70.2 mtp180 -82.27 -50.45 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.712 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 33.3 mt -47.62 -25.16 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.815 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 40.5 t -121.9 146.25 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.18 -28.17 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -117.93 54.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.345 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -109.81 91.55 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.76 -41.51 92.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.06 -169.78 28.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.388 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -177.05 178.81 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.05 96.46 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -74.06 75.38 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.171 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -45.67 131.18 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.144 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.523 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 27.2 m-85 -83.67 86.42 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 60.8 m-85 -73.66 148.71 42.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.448 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 113.38 23.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mt -86.85 151.08 23.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.0 p -73.57 -18.47 61.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.0 t0 -87.88 -9.86 52.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.63 7.24 63.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 123' ' ' PHE . . . -102.03 42.51 1.89 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.641 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 10.9 p90 -34.88 143.66 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.551 0.341 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.56 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.5 p90 -134.03 165.13 25.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.224 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE2' HG21 ' A' ' 38' ' ' VAL . 71.4 mtp -115.4 134.01 55.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.1 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -132.41 128.96 21.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 89' ' ' ALA . 46.3 Cg_endo -68.06 162.0 41.9 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 18.9 t70 -103.76 83.89 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 52' ' ' ALA . 1.1 mp -134.9 116.94 15.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.08 107.24 18.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.43 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.516 ' O ' ' HG ' ' A' ' 74' ' ' LEU . . . 144.53 165.5 11.07 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.752 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -61.2 94.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 70' ' ' LEU . 28.7 mt -87.07 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.159 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 43.2 mt-10 -65.38 90.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.5 mm -113.44 106.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.605 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -94.79 139.13 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.682 178.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.578 ' CG2' ' HB3' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -107.31 106.64 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.624 -179.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.94 -32.29 73.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 109.87 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.69 -33.17 4.62 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.281 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.498 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.0 p30 -143.43 14.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.88 29.67 59.12 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.578 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 79.6 t80 -90.19 105.76 18.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.176 0.988 . . . . 0.0 111.202 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -89.27 115.05 26.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.008 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.72 143.06 7.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.027 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.9 mp0 -80.35 135.4 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.372 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.579 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 11.4 tp -141.05 170.05 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.881 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -84.75 161.75 19.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.01 -25.03 66.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.02 -55.67 4.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.84 -6.72 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.734 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.32 -38.57 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.476 ' O ' HG22 ' A' ' 97' ' ' THR . . . -55.22 -29.99 53.82 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.913 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 137' ' ' ILE . 4.3 mt -61.59 -49.27 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.232 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 141' ' ' ILE . 59.7 t -66.52 -22.14 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -75.35 -47.25 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.327 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' HB2' ' A' ' 65' ' ' TYR . 2.7 t -74.6 -42.54 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 101' ' ' LEU . 50.8 mt -51.97 -53.41 41.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 95' ' ' VAL . 12.2 m-85 -57.54 -34.09 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.69 -36.66 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 98' ' ' LEU . 90.5 mt -58.09 -42.58 85.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.914 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.29 -34.02 61.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.028 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -70.07 -50.17 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.583 HD23 HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.02 -40.87 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.809 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.08 -36.52 83.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.82 -12.37 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.809 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.977 0.417 . . . . 0.0 110.529 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.7 mm -61.18 -34.84 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.318 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.473 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -53.12 -42.95 66.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -54.16 -38.33 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.096 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.28 -54.56 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -58.52 -34.11 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.67 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 23.1 m-30 -67.87 -54.36 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.329 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.1 tp -63.36 -45.64 90.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -46.71 -39.19 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.37 -29.68 63.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.951 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 62.9 t80 -72.53 -34.49 67.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -64.63 -15.09 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.07 -25.11 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.22 -6.45 87.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.87 145.35 57.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.605 0.241 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.94 -23.8 67.84 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.482 2.121 . . . . 0.0 112.118 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -100.35 15.32 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.14 -45.07 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.02 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.572 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.8 70.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.328 . . . . 0.0 111.698 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 94' ' ' ILE . 89.6 mt -64.68 -52.92 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -65.61 -36.28 83.28 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -71.45 -32.83 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -65.99 -33.29 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.794 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.658 HG22 HG13 ' A' ' 95' ' ' VAL . 49.0 pt -92.06 -16.83 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.944 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 CA-C-O 121.225 0.427 . . . . 0.0 112.953 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.479 HG11 ' OD2' ' A' ' 61' ' ' ASP . 23.6 t -128.92 138.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.644 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 64.6 p -145.38 138.23 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.44 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -83.91 -176.28 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.3 t -157.82 149.57 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.7 tp -88.84 118.82 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.54 151.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.88 162.79 1.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -82.92 -28.9 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.72 -1.29 57.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.646 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -122.52 -18.74 6.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.647 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 6.3 ptm180 -69.91 -21.29 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.324 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.71 -23.1 63.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -114.2 -6.07 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 0.0 110.12 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.91 -41.72 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.737 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 31' ' ' MET . 4.5 mt -62.58 -54.63 46.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.457 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 45.7 Cg_endo -68.46 -13.34 37.26 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.087 1.858 . . . . 0.0 112.561 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -91.26 -41.39 10.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 89.0 m-85 -109.3 -33.27 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.2 t80 -89.87 -38.36 13.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.592 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.34 135.49 3.37 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.045 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 16.6 Cg_endo -57.29 -21.51 44.41 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.417 2.078 . . . . 0.0 112.092 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 tmt_? -95.5 -41.36 9.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.125 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 7.8 mp -65.81 -37.3 85.88 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.572 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.54 -42.54 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 19.4 ptp -99.48 -36.19 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 27.3 mmm180 -67.32 -15.49 63.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.177 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -107.14 -42.81 1.46 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.501 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.6 pt-20 -58.68 -40.15 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.96 -25.87 53.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.688 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.654 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -75.44 -34.27 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.5 m -70.95 -39.5 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.46 -21.04 53.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.442 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -64.64 -37.38 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.81 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -83.23 -30.74 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.55 ' HE2' ' HG2' ' A' ' 68' ' ' PRO . 9.6 tpt -59.53 -37.92 79.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -79.03 -4.77 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.233 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.4 mtt180 -94.18 -14.85 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.8 mt -89.39 -25.41 21.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.3 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.849 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.9 t -121.21 150.5 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 11.0 pt-20 -91.18 -20.41 22.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.334 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 98.9 mtt180 -110.43 8.14 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.346 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.849 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -66.1 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 111.047 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -76.42 -57.75 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.743 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.28 160.11 33.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -153.22 152.73 31.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 92.97 4.8 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.505 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 2.4 m0 -66.55 152.49 45.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.449 0.643 . . . . 0.0 111.495 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.584 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 94.4 m-70 -134.15 136.98 44.18 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.663 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.647 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.1 m-30 -88.36 135.27 33.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' SER . 43.3 m-85 -122.0 144.37 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.652 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.681 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.19 99.57 8.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.808 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 14.6 mt -75.23 144.59 42.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 t -73.74 -11.67 60.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.582 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 2.1 p30 -81.57 -20.37 40.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.89 34.63 6.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.4 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -113.93 -41.76 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.693 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.681 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 24.7 m-85 64.38 123.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.648 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 3.5 p90 -133.09 165.59 24.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.088 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 38' ' ' VAL . 69.2 mtp -120.93 140.67 51.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.648 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.89 125.27 11.58 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.36 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 42' ' ' MET . 35.3 Cg_exo -60.73 169.44 5.63 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 111.703 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 70' ' ' LEU . 17.2 t70 -111.91 90.81 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.8 mm? -134.56 109.44 8.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.148 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.58 110.62 22.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.303 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.72 -155.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.702 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -111.62 114.03 26.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 70' ' ' LEU . 2.8 mp -113.05 126.62 55.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 45.6 mm-40 -66.91 104.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.2 mm -115.77 105.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.234 0.54 . . . . 0.0 111.672 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' LEU . 9.9 pt-20 -84.82 102.41 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.833 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 13.3 t -77.12 94.41 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.302 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.32 -35.88 80.33 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.44 -25.6 0.1 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.13 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.596 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.1 p30 -151.85 11.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.27 . . . . 0.0 110.925 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.18 17.95 68.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.287 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 48.9 t80 -78.48 91.49 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.048 0.424 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -78.7 103.7 8.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.84 130.4 2.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.494 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.485 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 11.1 pt-20 -69.57 132.27 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' HG2' ' A' ' 133' ' ' GLU . 16.7 tp -144.92 157.65 44.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 111.162 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.2 p -78.61 173.31 12.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -79.49 -5.17 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.355 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' O ' HD11 ' A' ' 94' ' ' ILE . 11.6 t70 -93.27 -24.63 18.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 110.555 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.86 -11.99 15.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.098 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.74 -36.11 9.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.93 -21.39 52.17 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.221 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.407 HD11 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -68.34 -34.7 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.199 0.523 . . . . 0.0 110.015 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 141' ' ' ILE . 53.4 t -78.97 -33.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -64.67 -45.82 85.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.52 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -71.91 -43.8 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.446 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 141' ' ' ILE . 28.0 mt -53.03 -53.13 54.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.38 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 11.2 m-85 -57.61 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.17 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.654 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -63.78 -44.74 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.65 -41.52 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.26 -28.42 73.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.873 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -78.02 -47.86 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -59.05 -44.81 91.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.783 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -60.22 -34.96 74.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.45 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.721 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.994 0.426 . . . . 0.0 110.123 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.9 mm -66.45 -30.93 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -37.81 59.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.462 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 6.7 mpt_? -64.27 -37.13 86.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.5 -39.12 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -24.04 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.941 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.582 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 20.9 m-85 -92.54 -50.33 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.0 tt -50.57 -55.51 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -47.14 -41.5 17.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.779 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.37 -31.26 78.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 79.2 t80 -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.463 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.74 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.224 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.88 -9.15 83.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 11.1 m-70 -74.5 147.79 85.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 26.0 Cg_exo -62.78 -14.66 41.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.698 2.266 . . . . 0.0 112.022 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 4.3 mp0 -116.21 20.12 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.392 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.44 -47.15 4.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.202 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -51.96 -47.84 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.545 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.4 78.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.651 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.3 mt -65.92 -52.54 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.71 -36.9 85.37 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.502 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 18.3 ptp180 -73.93 -28.8 61.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 109.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.517 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.61 -36.24 82.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.651 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.598 HG22 HG13 ' A' ' 95' ' ' VAL . 48.9 pt -92.3 -13.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.983 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 121.381 0.492 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 59' ' ' LEU . 3.2 t -76.22 125.16 35.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.134 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' HD23 ' A' ' 59' ' ' LEU . 67.7 p -138.39 138.99 38.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -82.87 176.81 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -158.43 160.72 37.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 tp -93.62 120.59 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 14' ' ' ALA . 10.7 t -82.39 158.39 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -55.63 151.29 11.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.5 pt-20 -72.07 -22.06 61.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.247 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.58 6.36 37.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.561 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.0 mm-40 -125.82 -18.49 5.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 32.8 ptt180 -72.05 -21.75 61.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.269 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.73 -17.64 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.749 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 4.9 t70 -115.89 -9.35 11.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.898 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 21.6 t80 -80.49 -34.97 35.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.941 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.12 -50.85 66.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.291 179.307 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 59.1 Cg_endo -72.12 -15.49 28.86 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 0.0 111.928 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -84.11 -33.61 24.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.602 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 m-85 -100.37 -27.67 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.296 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.609 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -100.74 -45.48 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.042 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 143.17 140.49 3.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.449 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.58 -19.04 50.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.461 2.107 . . . . 0.0 112.17 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.808 HD22 HD21 ' A' ' 104' ' ' LEU . 95.4 mt -68.59 -35.37 77.27 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.555 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -30.1 -40.35 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.486 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.649 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.1 ptt? -101.38 -31.6 10.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 23.4 mmm180 -74.34 -11.75 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA3' ' HE2' ' A' ' 26' ' ' PHE . . . -109.78 -43.81 1.09 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.105 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.2 pt-20 -57.59 -36.25 71.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 109.779 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -79.12 -17.09 55.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.782 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.6 mt -82.31 -41.85 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.922 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 66' ' ' MET . 4.5 m -66.95 -38.88 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -24.8 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -62.72 -36.58 83.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -79.99 -33.87 39.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.697 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.521 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 10.7 tpt -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.65 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -64.38 -23.43 67.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.698 0.285 . . . . 0.0 111.256 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -78.02 -47.52 18.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' ' 78' ' ' VAL . 71.6 mt -48.03 -26.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.9 t -132.41 123.74 27.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 13.1 pt-20 -65.64 -25.02 67.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.562 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 29.7 mmm180 -107.28 46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.956 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -114.73 96.2 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.966 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -71.82 -48.98 42.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.558 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -178.01 -179.69 0.77 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 21.8 m-85 -91.65 96.31 10.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.465 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -78.37 77.27 4.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.249 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 66' ' ' MET . 92.6 m-70 -44.05 138.52 2.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.234 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 7.0 m-85 -90.79 81.72 5.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.959 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 56.3 m-85 -68.48 149.7 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.55 119.15 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 8' ' ' VAL . 10.1 mt -91.57 151.66 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -67.48 -25.25 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.851 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 7.96 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.666 0.27 . . . . 0.0 111.335 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.51 2.24 87.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.705 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -86.74 30.72 4.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.051 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 29.9 p90 -37.22 144.62 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.888 0.375 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 9.1 p90 -135.37 178.13 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.665 ' HE2' HG21 ' A' ' 38' ' ' VAL . 64.7 mtp -127.31 136.52 52.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.654 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.36 124.42 18.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.358 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 31.8 Cg_exo -58.8 158.59 23.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.577 2.185 . . . . 0.0 111.967 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.8 t70 -104.37 84.22 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 81.7 mt -134.01 105.44 6.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.06 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.43 -149.54 20.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.703 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -128.48 137.22 51.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.096 0.474 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -129.24 153.32 47.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.979 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -91.02 102.53 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.122 0.487 . . . . 0.0 111.018 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -109.92 110.93 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.187 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 35.8 mt-10 -85.57 125.63 33.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.671 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.8 t -99.82 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.96 -37.9 64.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.548 0.213 . . . . 0.0 111.309 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -44.55 -21.52 0.29 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.989 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.48 HD21 ' HA ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -144.76 6.94 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.895 0.379 . . . . 0.0 110.788 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.1 13.42 59.81 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.198 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -82.85 94.84 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 111.472 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 57.8 ttp180 -82.26 110.87 17.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.4 133.83 3.61 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 119.654 -1.26 . . . . 0.0 113.801 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 31.0 mt-10 -74.33 138.2 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.8 tp -157.73 153.16 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -70.11 153.95 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.752 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.46 -12.28 5.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.484 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.15 -58.87 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -75.18 -10.71 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -94.65 -37.37 11.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.146 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.09 -20.34 42.0 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.08 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mm -66.18 -39.47 84.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 109.864 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 141' ' ' ILE . 51.2 t -78.95 -28.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.194 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.63 -47.24 70.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.68 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -72.73 -42.39 64.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.345 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 101' ' ' LEU . 27.9 mt -54.93 -50.66 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.01 -27.18 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -73.4 -36.47 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -63.95 -45.21 90.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.257 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.05 90.9 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.511 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 61.6 tt0 -80.45 -45.73 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.909 0.354 . . . . 0.0 111.343 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.808 HD21 HD22 ' A' ' 30' ' ' LEU . 27.4 tp -61.49 -33.77 74.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.729 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -71.27 -34.41 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 103' ' ' GLN . 43.9 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.022 0.439 . . . . 0.0 109.905 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 117' ' ' LEU . 7.6 mm -62.02 -33.08 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -47.56 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.1 mpt_? -53.9 -37.22 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.985 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.54 -57.33 11.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -56.64 -45.2 81.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.28 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.58 -56.91 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.19 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.5 tp -55.34 -54.86 38.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.145 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -44.05 -41.46 5.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.21 -36.45 93.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.863 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.38 -28.18 64.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.37 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.89 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.98 -24.63 58.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.88 -11.84 83.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -78.51 146.35 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.561 0.22 . . . . 0.0 110.978 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.71 -21.72 69.79 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 111.728 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -103.56 17.24 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.482 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.72 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.17 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -51.93 -47.1 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.423 ' HA ' ' CD ' ' A' ' 139' ' ' ARG . . . -70.66 -37.18 73.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -66.6 -51.98 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -66.54 -36.1 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.488 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 136' ' ' ALA . 13.2 ptm180 -72.59 -32.5 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 110.068 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.48 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.827 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.718 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -94.5 -13.82 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.793 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.954 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 9' ' ' THR . 40.6 Cg_exo . . . . . 0 N--CA 1.472 0.224 0 CA-C-O 120.906 0.294 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.697 HG11 ' HB2' ' A' ' 61' ' ' ASP . 95.4 t -24.68 134.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.016 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 7' ' ' PRO . 27.6 p -142.34 146.92 35.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.851 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 178.04 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -161.42 161.45 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.4 119.78 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -77.54 155.81 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -54.81 165.2 0.65 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.1 -27.03 30.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.358 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.6 -3.8 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.545 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.5 mm-40 -116.28 -18.58 10.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.73 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 9.9 ptm180 -65.02 -25.79 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.469 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.909 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.74 -15.91 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 111.436 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.617 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.1 t70 -111.29 -14.12 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -70.51 -43.13 70.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -56.09 -53.01 68.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.681 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 55.4 Cg_endo -70.16 -15.68 35.67 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.363 2.042 . . . . 0.0 112.161 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 25' ' ' TYR . 4.9 m -81.99 -32.36 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.869 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 24' ' ' THR . 12.7 m-85 -106.73 -20.12 13.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.57 -35.7 6.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 132.8 138.24 4.05 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.476 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.9 Cg_endo -57.45 -15.94 21.52 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.683 2.255 . . . . 0.0 112.244 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -102.0 -34.36 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.467 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.4 mp -76.27 -26.24 55.73 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 ptm -34.01 -35.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 22.6 ptp -100.92 -34.71 9.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.44 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -67.61 -17.4 64.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.971 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -106.12 -42.94 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.834 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.7 pt-20 -57.42 -37.97 73.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.61 -24.3 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.503 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -76.26 -36.49 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 100' ' ' ALA . 4.8 m -70.24 -38.25 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.833 0.349 . . . . 0.0 111.178 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.89 -24.26 48.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.58 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.606 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 90.2 m95 -78.67 -34.08 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.621 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 1.8 tpt -61.73 -41.78 98.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.851 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -76.42 -9.41 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.77 -179.086 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -93.29 -43.89 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.212 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 50.8 mt -52.46 -24.89 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.813 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.818 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 37.7 t -119.32 139.87 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.229 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 9.8 pt-20 -77.6 -28.83 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.738 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 76.3 mtp180 -115.77 54.83 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.818 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -114.71 97.64 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.977 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -73.34 -47.66 40.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.51 -169.85 33.41 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.729 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -179.76 -177.1 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 29.1 m-85 -91.41 99.55 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.93 0.395 . . . . 0.0 111.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.443 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.59 77.28 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.034 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 82.8 m-70 -49.5 142.23 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.401 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.73 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 25.6 m-85 -85.86 127.64 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 47.6 m-85 -116.44 142.64 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.684 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 118.13 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.631 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.2 mt -91.43 148.31 22.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -75.8 -15.81 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.909 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.697 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.7 t70 -73.52 -21.6 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.67 -3.61 13.38 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.828 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.01 -147.53 19.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.116 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 35.4 p90 -179.58 148.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.744 0.307 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.4 p90 -136.77 160.18 39.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.417 ' HG2' ' HD1' ' A' ' 56' ' ' TYR . 74.5 mtp -116.26 136.66 52.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.62 119.1 18.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.026 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 44.6 Cg_exo -55.48 160.17 9.52 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.329 2.019 . . . . 0.0 111.663 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.4 t70 -101.89 88.71 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 111.281 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 91.3 mt -142.42 111.19 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.77 113.05 25.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.266 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.87 -161.9 28.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.666 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HD3' ' OE1' ' A' ' 86' ' ' GLU . 59.6 mtt180 -101.08 108.75 20.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 70' ' ' LEU . 65.3 mt -101.78 114.57 28.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.476 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 86' ' ' GLU . 5.2 mm-40 -72.68 86.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.732 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.6 mm -97.85 107.47 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 0.0 111.21 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.728 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 41.2 mt-10 -92.16 102.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.552 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -72.47 104.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.608 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -78.3 23.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.901 0.382 . . . . 0.0 110.58 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -104.11 -30.89 4.92 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.552 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.505 HD21 ' HA ' ' A' ' 140' ' ' ALA . 5.2 p30 -137.57 6.91 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 110.081 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.92 24.04 72.88 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 114.236 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 48.5 t80 -85.98 92.46 8.69 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.932 0.866 . . . . 0.0 111.265 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.8 ttt180 -79.64 113.21 17.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.989 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 168.27 38.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.627 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.604 ' OE1' ' HD3' ' A' ' 73' ' ' ARG . 9.6 pt-20 -106.89 126.31 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.476 HD22 ' C ' ' A' ' 86' ' ' GLU . 4.0 mm? -126.94 171.31 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.2 m -86.97 165.49 15.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.843 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.99 -28.33 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 94' ' ' ILE . 12.9 t70 -79.88 -56.41 4.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.53 -18.04 49.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.473 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.621 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -95.62 -33.29 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.063 0.459 . . . . 0.0 110.14 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 97' ' ' THR . . . -63.08 -23.37 65.94 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.632 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 128' ' ' ALA . 5.2 mm -67.28 -48.02 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 0.0 110.139 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.94 -22.57 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.352 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.476 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -75.47 -47.91 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.558 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.589 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -75.01 -42.46 57.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.436 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 141' ' ' ILE . 46.5 mt -54.09 -53.06 58.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.68 0.276 . . . . 0.0 111.29 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 6.8 m-85 -56.29 -35.69 67.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -64.06 -38.54 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.568 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.98 -42.38 94.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.029 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.3 -32.22 68.6 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.252 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.582 ' CD ' HD11 ' A' ' 37' ' ' LEU . 49.8 tt0 -73.95 -48.6 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.837 0.318 . . . . 0.0 111.373 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.6 -40.57 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.623 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -65.68 -33.23 75.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.06 42.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.067 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.345 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.8 pp . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.108 0.48 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.1 mm -48.74 -28.7 2.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.669 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -47.49 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.219 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -54.21 -37.9 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.87 -60.34 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.41 -36.9 69.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -59.51 -57.63 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.195 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.8 tp -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -45.6 -37.46 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.16 66.24 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.499 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 9' ' ' THR . 57.5 t80 -70.24 -45.57 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.353 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -68.79 -10.05 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.521 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.09 -19.78 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.523 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -111.6 13.79 27.49 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.124 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 2.6 m-70 -79.65 159.69 71.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.629 0.214 . . . . 0.0 110.68 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.478 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 19.7 Cg_endo -59.47 -26.71 82.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.58 2.187 . . . . 0.0 111.92 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.5 mp0 -113.08 19.35 17.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.708 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.5 -47.39 5.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.82 -42.91 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.767 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.91 57.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.521 HG21 ' HB1' ' A' ' 128' ' ' ALA . 88.3 mt -65.59 -51.85 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -66.73 -34.98 79.04 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.494 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 13.7 ptm180 -74.41 -31.01 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -64.16 -32.82 74.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.699 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.552 HD13 HD13 ' A' ' 98' ' ' LEU . 48.9 pt -95.44 -14.6 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 CA--C 1.518 -0.317 0 CA-C-O 121.596 0.582 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 60' ' ' SER . 40.6 t -75.49 125.89 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.466 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 56.6 p -142.91 139.06 30.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.948 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.09 176.51 9.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.7 t -157.47 156.14 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.2 tp -85.71 117.66 24.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -78.88 146.16 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -54.64 150.67 9.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.51 -32.24 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.74 -5.5 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.528 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.5 mm-40 -112.35 -15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 17.5 ptm180 -73.38 -17.86 61.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.601 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.7 pp -72.93 -26.11 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' N ' HD12 ' A' ' 19' ' ' LEU . 7.4 t70 -110.55 -16.29 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.558 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.1 t80 -67.29 -33.83 76.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 11.8 tp -65.35 -54.7 30.01 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.977 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 51.8 Cg_endo -69.93 -10.97 29.69 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.087 1.858 . . . . 0.0 112.102 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.4 m -91.23 -39.82 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CD1' HG22 ' A' ' 24' ' ' THR . 24.9 m-85 -104.47 -28.01 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.4 t80 -99.78 -38.88 8.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.48 138.19 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 29.6 Cg_endo -62.94 -20.59 71.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.453 2.102 . . . . 0.0 112.224 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' NE ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -101.87 -28.4 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.944 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 9.1 mp -75.97 -33.32 59.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.517 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.1 ptm -32.67 -40.61 0.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -97.93 -40.02 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -179.016 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.944 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 11.5 ptm180 -71.33 -11.31 60.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.735 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -103.95 -44.07 1.69 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.771 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 12.1 pt-20 -60.04 -37.69 80.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.38 -18.6 60.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.902 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.8 mt -81.41 -37.2 28.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.755 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 4.1 m -70.7 -37.99 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.051 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -27.99 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -58.42 -37.96 76.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.6 m95 -82.08 -32.66 30.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.9 tpp -63.8 -52.59 59.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.74 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -19.32 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.9 mtp180 -84.33 -23.29 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD22 HG12 ' A' ' 78' ' ' VAL . 22.0 mt -69.81 -28.12 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.398 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 47.4 t -130.33 137.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.732 0.301 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.3 pt-20 -76.51 -25.02 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.639 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 75.8 mtp180 -109.16 48.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.022 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.665 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.2 t80 -114.66 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.206 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -73.32 -54.02 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.19 -173.47 42.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.16 177.02 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.921 0.391 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.08 94.82 9.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.688 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 79.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB3' HD11 ' A' ' 12' ' ' LEU . 88.5 m-70 -50.25 131.91 24.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.377 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 22.7 m-30 -80.39 132.25 35.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.111 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 11' ' ' SER . 46.8 m-85 -117.87 141.05 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 111.92 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.39 104.74 14.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.494 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.8 mt -85.76 152.65 22.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.8 m -62.76 -29.42 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 8' ' ' VAL . 98.5 m-20 -88.66 6.34 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.29 7.71 64.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.0 86.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.298 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 56' ' ' TYR . 29.4 t80 63.21 121.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.945 0.402 . . . . 0.0 111.311 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.627 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.5 p90 -133.63 148.36 51.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.554 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 71.7 mtp -105.31 135.16 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.902 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.69 123.73 20.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.8 Cg_exo -59.96 164.36 12.24 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.577 2.185 . . . . 0.0 111.757 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.7 t70 -107.66 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -134.46 102.66 5.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.209 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.68 112.81 20.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.65 -148.28 18.66 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -112.89 111.52 22.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.89 114.45 27.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.554 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 15.2 mm-40 -57.22 108.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.822 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.0 mm -123.97 106.63 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.003 0.43 . . . . 0.0 111.235 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.47 106.25 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.22 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -72.84 111.08 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.763 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.25 22.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.14 -25.26 8.44 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.509 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 4.7 p30 -145.18 8.53 1.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.988 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.97 23.54 67.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.959 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.531 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 50.1 t80 -83.58 92.55 7.67 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 117.923 0.862 . . . . 0.0 111.154 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.037 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.71 128.78 1.38 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.762 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 10.6 pt-20 -61.81 141.28 58.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.572 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.7 tp -151.48 146.61 26.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -62.44 155.19 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.11 -13.36 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.08 -59.2 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.122 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -69.19 -16.91 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.92 -36.39 12.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.269 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.54 -19.14 40.34 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.316 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.06 -40.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 141' ' ' ILE . 40.8 t -73.44 -33.85 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.5 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -66.58 -46.98 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.738 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.627 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -71.59 -44.21 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.528 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.53 -52.07 63.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.291 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 4.9 m-85 -55.54 -35.07 65.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.57 -39.39 93.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 95.4 mt -62.89 -45.26 93.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.993 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.54 94.76 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.222 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -75.21 -46.26 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 0.0 111.174 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 117' ' ' LEU . 2.4 tm? -56.84 -34.55 67.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.571 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.569 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.03 -15.97 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.467 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 104' ' ' LEU . 2.2 pp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 118' ' ' ILE . 18.1 mm -48.92 -28.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -46.23 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.981 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -61.78 -37.36 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.432 -179.427 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.423 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 10.0 t80 -57.23 -50.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -64.05 -34.2 77.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.62 -56.74 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 65' ' ' TYR . 61.9 tp -61.84 -47.4 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.6 -37.03 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.35 78.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.679 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 71.6 t80 -71.59 -25.78 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.513 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.2 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.653 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.51 -21.97 66.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.58 -13.32 67.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 27.1 m-70 -71.41 144.92 89.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.565 0.221 . . . . 0.0 111.003 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 33.6 Cg_exo -61.8 -13.72 32.19 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 111.834 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -118.34 21.14 12.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.778 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -40.5 -45.35 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.451 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -54.07 -44.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.564 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -72.49 -39.72 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.749 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 91' ' ' ALA . 95.8 mt -62.05 -54.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.451 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -64.66 -36.16 83.37 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 15.6 ptm180 -74.77 -23.5 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 109.954 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -73.07 -36.6 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.884 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -90.94 -11.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.966 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 CA--C 1.519 -0.256 0 CA-C-O 121.133 0.389 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 61' ' ' ASP . 20.8 t -127.24 136.17 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.283 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 72.9 p -139.84 139.82 36.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -91.16 174.3 7.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -157.03 166.56 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.8 tp -99.05 117.99 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.1 p -85.33 152.57 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.273 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.16 159.8 0.42 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.307 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -77.04 -25.12 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.423 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.05 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.668 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -113.88 -18.17 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 0.0 111.258 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.708 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.5 ptm180 -66.59 -21.4 66.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.55 -19.49 55.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.465 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 25.1 t70 -104.63 -19.36 14.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 64' ' ' PHE . 24.6 t80 -65.52 -43.49 89.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -59.27 -54.32 57.35 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.54 -18.83 33.06 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.138 1.892 . . . . 0.0 112.407 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -81.65 -33.15 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.917 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -103.87 -18.74 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -112.73 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.025 0.441 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.02 137.68 3.86 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 19.2 Cg_endo -58.68 -12.63 14.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.425 2.083 . . . . 0.0 112.012 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.562 HH21 ' HE ' ' A' ' 33' ' ' ARG . 6.4 tpt180 -101.95 -39.11 7.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.485 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 10.2 mp -71.06 -28.69 64.55 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.36 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ptm -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.742 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HE ' HH21 ' A' ' 29' ' ' ARG . 99.8 mtt180 -64.9 -22.83 67.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -99.55 -41.28 2.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.56 -41.48 85.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -28.34 62.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.603 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -72.67 -42.49 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 0.6 OUTLIER -64.75 -41.19 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.785 -179.073 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -26.75 59.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.5 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -63.7 -44.69 92.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.752 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.2 m95 -69.71 -31.69 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.426 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 8.3 tpt -64.99 -51.4 61.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.807 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.5 ptt180 -61.08 -13.28 15.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -88.78 -28.43 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.703 HD22 ' HA ' ' A' ' 78' ' ' VAL . 35.4 mt -76.91 -28.18 55.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.716 ' HB2' HD13 ' A' ' 76' ' ' ILE . 43.6 t -126.58 130.6 50.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.698 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -76.53 -23.35 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.06 0.457 . . . . 0.0 110.2 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.518 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mmm180 -105.61 47.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.921 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.605 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -118.09 97.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.108 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -83.24 -71.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.844 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.05 165.45 31.2 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.86 33.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.827 0.346 . . . . 0.0 111.573 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.68 94.69 9.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 64.6 m95 -75.96 80.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.129 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 82.2 m-70 -53.24 146.3 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.375 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 23.2 m-85 -92.37 129.29 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 11' ' ' SER . 47.2 m-85 -114.76 140.09 49.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.439 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.31 101.49 11.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.572 ' HB3' ' H ' ' A' ' 62' ' ' GLY . 10.0 mt -74.68 145.15 43.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.2 m -70.8 -25.5 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.258 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 8' ' ' VAL . 6.6 m-20 -153.44 14.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -116.84 11.65 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.457 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.06 -82.83 1.21 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.132 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.676 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 31.6 p90 179.61 142.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -132.36 149.08 52.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.438 ' SD ' HG11 ' A' ' 38' ' ' VAL . 59.3 mtp -104.71 133.84 48.87 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.396 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -129.81 130.6 23.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.955 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 54' ' ' TRP . 44.0 Cg_endo -67.63 159.81 50.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.429 2.086 . . . . 0.0 111.762 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.62 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.9 t70 -100.73 84.23 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.542 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -138.25 110.78 7.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.61 112.89 24.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.98 -156.3 25.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.632 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -106.55 111.82 24.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.044 0.45 . . . . 0.0 110.73 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 70' ' ' LEU . 72.7 mt -99.03 132.48 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.079 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 9.6 pt-20 -85.51 93.21 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.666 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.716 HD13 ' HB2' ' A' ' 46' ' ' CYS . 4.1 mm -109.32 105.04 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.51 104.25 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.895 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.703 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.15 110.0 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.503 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -33.92 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.112 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.63 -33.08 8.53 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.798 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.491 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.6 p-10 -133.4 8.58 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.63 52.06 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.485 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 46.7 t80 -89.13 112.42 23.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.484 0.642 . . . . 0.0 111.312 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -96.47 112.79 24.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.85 130.26 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.04 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 38.6 mt-10 -71.1 124.57 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.557 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 91' ' ' ALA . 3.0 mm? -127.89 164.43 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.0 p -84.55 156.35 21.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.879 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -52.37 -28.36 19.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.54 -56.65 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.283 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' A' ' 87' ' ' LEU . . . -67.31 -15.68 63.83 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.89 -36.66 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -60.94 -14.68 39.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.566 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 128' ' ' ALA . 3.8 mm -74.16 -40.86 51.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.081 0.467 . . . . 0.0 110.603 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 141' ' ' ILE . 61.5 t -76.61 -27.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.819 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' HG23 ' A' ' 38' ' ' VAL . . . -72.87 -50.5 23.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.6 ' HA ' ' HB ' ' A' ' 38' ' ' VAL . 5.6 t -69.86 -41.23 75.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.663 0.268 . . . . 0.0 111.082 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 124' ' ' LEU . 20.2 mt -56.44 -50.79 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.499 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HE1' HG22 ' A' ' 141' ' ' ILE . 5.9 m-85 -57.79 -31.4 66.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.709 0.29 . . . . 0.0 111.36 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.99 -41.3 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.07 -41.17 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.413 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.27 77.08 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.593 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 37' ' ' LEU . 21.9 tt0 -77.98 -48.67 15.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.966 0.383 . . . . 0.0 111.551 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 37' ' ' LEU . 83.3 mt -60.01 -40.32 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.434 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -62.03 -34.74 76.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.99 -9.22 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.475 -179.656 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 117' ' ' LEU . 15.4 mm -63.46 -31.96 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -43.7 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.831 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 10.4 mpt_? -56.79 -37.61 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.957 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -70.28 -51.66 28.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -52.05 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.686 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.629 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 23.5 m-85 -88.36 -50.76 6.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.087 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' ' 98' ' ' LEU . 4.3 tt -49.84 -56.14 11.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.432 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.651 ' NH1' HD11 ' A' ' 141' ' ' ILE . 21.4 ttt85 -46.79 -40.6 13.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.36 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.17 -34.17 88.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.51 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 76.1 t80 -69.92 -35.03 74.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.05 -18.36 63.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.27 -26.94 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.029 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.89 -3.21 90.66 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.249 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.0 151.9 67.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.583 0.23 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.42 -18.42 49.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.566 2.178 . . . . 0.0 112.026 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.77 16.68 21.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.566 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.77 -44.99 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.139 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -54.48 -44.69 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.548 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.674 ' HA ' ' NE ' ' A' ' 139' ' ' ARG . . . -70.57 -36.02 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.5 mt -67.33 -51.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -66.64 -35.4 80.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 136' ' ' ALA . 40.5 ptt180 -74.14 -33.16 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.105 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.65 -30.45 71.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 95' ' ' VAL . 42.6 pt -96.96 -15.59 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 CA--C 1.518 -0.297 0 CA-C-O 121.123 0.385 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -127.27 140.08 50.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.257 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.5 p -146.44 142.69 28.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -87.35 171.44 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -155.01 167.66 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.66 HD11 ' NH2' ' A' ' 18' ' ' ARG . 13.5 tp -92.27 129.29 38.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 58' ' ' ALA . 16.6 t -89.5 153.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.328 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -59.49 145.22 44.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.922 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -63.7 -26.41 68.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.485 -179.66 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.01 -9.49 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -111.72 -14.55 13.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' NH2' HD11 ' A' ' 12' ' ' LEU . 16.1 mtt180 -66.33 -32.47 73.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.27 -23.16 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.646 ' N ' HD12 ' A' ' 19' ' ' LEU . 8.2 t70 -115.74 -8.23 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.292 . . . . 0.0 111.407 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.66 -35.1 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.755 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 1.1 mm? -65.41 -54.97 27.69 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 37.2 Cg_endo -66.71 -8.45 21.24 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.948 1.766 . . . . 0.0 111.591 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.87 -45.69 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.316 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HE2' ' HA2' ' A' ' 62' ' ' GLY . 11.1 m-85 -97.75 -36.97 10.05 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.87 -44.94 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 110.077 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.9 148.17 5.42 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.09 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 15.0 Cg_endo -56.75 -23.45 49.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.432 2.088 . . . . 0.0 112.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -95.65 -46.44 6.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.379 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 26' ' ' PHE . 82.5 mt -65.59 -27.29 68.31 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.471 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -33.79 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.367 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.706 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.8 ptp -105.58 -37.98 6.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 0.0 110.446 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 4.5 mmp_? -66.3 -15.35 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -106.38 -43.64 1.45 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.365 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.706 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.6 pt-20 -56.4 -34.12 66.42 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.93 65.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD21 ' HG2' ' A' ' 103' ' ' GLN . 9.6 mt -70.31 -41.43 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.9 m -63.91 -39.97 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -78.25 -28.4 47.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -59.38 -47.26 86.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.8 m95 -70.83 -33.53 70.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 2.4 tpt -59.04 -37.47 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 17.2 ptm180 -84.54 -13.13 52.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 53.6 mtp180 -83.92 -10.21 58.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.633 ' HB2' HD12 ' A' ' 76' ' ' ILE . 21.7 mt -93.16 -18.64 22.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.66 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.5 t -146.45 120.18 9.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.414 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -26.28 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.183 0.516 . . . . 0.0 110.045 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -91.77 41.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -117.16 98.82 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -82.77 -17.41 44.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.3 139.3 10.46 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.84 -158.9 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.728 0.299 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -92.91 99.56 12.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.504 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -80.78 80.46 7.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.001 -179.379 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.496 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 86.6 m-70 -50.33 148.09 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.352 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HE1' ' HE3' ' A' ' 66' ' ' MET . 14.5 m-85 -91.77 133.15 35.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.072 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -117.88 141.93 47.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.698 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB2' HG22 ' A' ' 13' ' ' VAL . . . -106.7 93.33 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.0 mt -66.15 146.8 54.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 t -68.82 -19.27 64.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.584 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -88.87 -32.27 17.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HE2' ' A' ' 25' ' ' TYR . . . 111.14 34.17 2.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.3 -42.93 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.431 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 7.1 t80 63.51 114.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.969 0.414 . . . . 0.0 111.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -130.33 146.94 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.447 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 73.1 mtp -104.73 132.84 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.99 125.13 23.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.464 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HG3' ' HD1' ' A' ' 54' ' ' TRP . 35.2 Cg_exo -59.29 157.14 31.82 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 111.786 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 27.9 t70 -100.84 83.91 2.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.402 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -142.52 115.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.689 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.48 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.516 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.24 -166.99 27.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.754 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -94.43 106.33 18.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 70' ' ' LEU . 57.6 mt -100.46 109.35 21.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.375 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.46 95.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.086 0.47 . . . . 0.0 110.323 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -111.36 110.75 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.783 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -85.53 105.12 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.179 0.514 . . . . 0.0 109.985 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 140' ' ' ALA . 23.4 t -72.7 95.04 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.413 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -64.66 -34.09 77.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.779 0.323 . . . . 0.0 110.723 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.06 -29.44 0.2 Allowed Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.315 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.562 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 p30 -153.64 14.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 0.0 111.317 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.06 19.01 73.44 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.79 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 49.3 t80 -83.75 93.01 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.215 0.507 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -80.49 109.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.983 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.85 116.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.457 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.74 124.75 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.3 tp -138.48 178.38 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.131 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -80.85 160.07 24.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.717 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -60.84 -23.04 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.04 -59.28 2.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.35 -12.49 60.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -92.54 -34.46 14.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.024 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.538 ' O ' HG22 ' A' ' 97' ' ' THR . . . -65.18 -18.51 65.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.363 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mm -68.37 -43.44 84.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.085 0.469 . . . . 0.0 110.186 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 141' ' ' ILE . 37.5 t -76.19 -23.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -74.03 -47.5 36.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.474 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 65' ' ' TYR . 7.1 t -75.85 -43.09 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.635 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.95 -51.03 59.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.531 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.2 m-85 -58.77 -32.66 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.72 -43.66 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.42 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 72.2 mt -56.38 -41.09 75.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.44 -30.98 73.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.668 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' HD21 ' A' ' 37' ' ' LEU . 3.1 tp-100 -71.76 -49.61 37.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.498 HD12 HD22 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -59.72 -46.39 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.17 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.506 ' CA ' HD21 ' A' ' 117' ' ' LEU . . . -65.04 -10.69 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.45 -25.34 12.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 16.2 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 105' ' ' ALA . 1.8 pp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.5 mm -50.03 -31.34 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.451 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -45.27 68.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 11.0 mpt_? -57.11 -34.35 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.42 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 22.0 t80 -70.64 -47.46 59.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.32 -33.5 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.31 -51.76 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.9 tt -52.02 -54.59 28.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.318 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 121' ' ' TYR . 39.1 ttm180 -44.79 -40.3 5.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.592 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.85 -36.92 93.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.703 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 85.6 t80 -70.62 -33.01 70.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 131' ' ' HIS . . . -61.51 -25.31 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . . . -73.17 -26.74 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.39 -7.55 84.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.39 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 8.1 m-70 -70.0 152.15 95.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.614 0.245 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.89 -4.36 11.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.515 2.143 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -134.15 27.31 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.309 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 138' ' ' TYR . . . -41.62 -42.85 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.976 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.42 94.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.319 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.24 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.969 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 141' ' ' ILE . 53.5 mt -77.82 -27.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.618 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' ' 134' ' ' ALA . 1.2 t80 -69.85 -47.42 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.933 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 ptm180 -76.71 -26.69 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.444 ' HA ' HG11 ' A' ' 78' ' ' VAL . . . -66.91 -36.8 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.645 HG22 HG13 ' A' ' 95' ' ' VAL . 38.0 pt -93.79 -15.47 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.961 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' THR . 58.5 Cg_endo . . . . . 0 C--O 1.231 0.157 0 N-CA-C 113.403 0.501 . . . . 0.0 113.403 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.544 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 30.4 t -45.21 124.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.91 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 7' ' ' PRO . 65.2 p -139.41 140.05 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.402 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.69 162.97 19.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 111.316 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -150.12 155.88 40.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.5 tp -85.6 137.11 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.6 135.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -41.56 146.54 0.22 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.5 pt-20 -63.71 -23.97 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.956 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 -2.45 37.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -111.0 -20.96 12.23 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.236 0.541 . . . . 0.0 110.449 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.598 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 15.6 ptp180 -71.83 -17.05 62.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.661 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -77.7 -29.95 51.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.243 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 19' ' ' LEU . 27.4 t70 -107.0 -20.0 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.691 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 41.9 t80 -62.5 -26.63 68.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 26' ' ' PHE . 10.6 tp -73.75 -57.05 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 39.7 Cg_endo -68.18 -19.98 44.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.03 1.82 . . . . 0.0 112.519 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -92.32 -41.51 10.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -97.36 -45.63 6.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.46 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.7 t80 -77.49 -44.41 28.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.346 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.889 ' HA3' HD13 ' A' ' 30' ' ' LEU . . . 127.48 146.54 6.42 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.258 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.35 -12.21 34.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.507 2.138 . . . . 0.0 111.229 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.5 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -123.91 30.06 6.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 ' HA3' ' A' ' 27' ' ' GLY . 5.7 mp -138.95 -36.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.104 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.506 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -41.99 -49.24 4.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.294 179.423 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.2 ptm -88.46 -39.1 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.561 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 104' ' ' LEU . 19.3 mmm180 -55.43 -32.79 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.187 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.625 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -100.62 -36.74 3.93 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.192 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.56 -50.36 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.351 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -68.93 -31.58 70.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.998 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.802 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -65.9 -42.42 90.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.64 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.7 m -72.82 -39.75 59.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -73.03 -31.58 64.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.833 -179.417 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -57.54 -49.39 76.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 110.116 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.521 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -64.67 -36.04 82.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.838 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.5 tpt -61.23 -49.16 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.768 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 4.5 ppt_? -68.97 -9.92 54.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.41 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.8 mtp180 -89.72 -17.28 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.719 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 76' ' ' ILE . 12.2 mt -83.48 -23.17 32.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.7 t -131.61 135.07 46.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.944 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.662 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.2 pt-20 -79.71 -19.02 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 110.139 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 42.1 mtm180 -112.53 47.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.572 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.3 t80 -113.46 93.3 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.787 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -0.58 40.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.33 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.42 15.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.24 174.46 2.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.663 0.268 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.21 96.62 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.84 78.55 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' HB3' HD11 ' A' ' 12' ' ' LEU . 82.3 m-70 -51.91 127.3 20.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.963 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.598 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.8 m-30 -73.88 131.47 41.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.302 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 40.7 m-85 -118.43 138.72 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.074 0.464 . . . . 0.0 111.675 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.72 97.5 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 8' ' ' VAL . 9.9 mt -72.24 151.4 42.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 92.6 p -62.94 -27.09 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.26 -29.44 31.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.24 15.38 17.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.289 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -71.65 -40.8 58.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.45 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE2' ' HB3' ' A' ' 56' ' ' TYR . 43.4 t80 62.92 113.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.913 0.387 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 1.1 p90 -125.39 144.44 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.637 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.66 129.58 53.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.268 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -124.41 130.19 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.115 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 42.7 Cg_endo -67.72 159.54 52.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.515 2.143 . . . . 0.0 111.936 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.38 86.79 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 53.3 mt -144.28 101.79 3.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.835 0.35 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 143.15 30.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.493 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.31 177.79 24.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.736 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -82.43 121.61 26.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.143 0.497 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 pt? -129.57 123.66 31.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.782 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.6 pt-20 -66.84 112.9 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -124.91 109.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.76 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.2 pt-20 -81.2 112.82 18.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.331 0.586 . . . . 0.0 110.486 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 140' ' ' ALA . 21.6 t -79.34 90.92 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.337 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -63.69 -31.62 72.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.53 -30.8 0.93 Allowed Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 113.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.55 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.9 p30 -150.43 14.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.157 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.73 72.28 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.126 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.55 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 47.7 t80 -86.98 94.07 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -78.44 107.34 11.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.006 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.05 131.5 2.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.275 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.5 mt-10 -63.41 139.76 58.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 14.9 tp -153.0 140.13 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -61.98 160.34 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.29 -19.7 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.652 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.5 -60.4 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.63 -19.83 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.243 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.35 -36.64 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.81 -17.5 54.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.422 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -73.62 -38.25 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 141' ' ' ILE . 46.2 t -77.18 -26.46 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.351 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.534 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.93 -45.7 60.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.513 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.6 t -74.5 -43.43 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.807 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.1 mt -53.9 -54.5 37.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.644 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 7.1 m-85 -55.21 -30.74 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.502 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.87 -41.5 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.393 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 96.3 mt -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.86 -35.92 92.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.657 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -79.5 -48.81 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.942 0.371 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 33' ' ' ARG . 20.1 tp -57.91 -24.76 59.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.635 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -76.96 -35.61 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.99 -6.02 54.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.432 -179.684 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 105' ' ' ALA . 2.3 pp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.222 0.534 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 118' ' ' ILE . 16.3 mm -51.91 -27.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.471 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -42.86 65.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.522 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 3.2 mpt_? -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.7 t80 -66.05 -48.67 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -55.98 -33.64 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -80.84 -55.65 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 65' ' ' TYR . 2.9 tt -48.92 -59.68 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -45.24 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.94 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.68 72.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.844 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 72.2 t80 -66.29 -35.63 80.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -62.06 -20.35 63.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.316 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.31 68.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.02 -4.88 88.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.278 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 24.4 m-70 -83.73 146.11 48.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.13 -9.17 22.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.721 2.281 . . . . 0.0 112.435 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -119.62 19.74 12.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -45.8 -42.71 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -52.48 -43.3 64.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.578 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.01 -33.1 59.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.437 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -70.5 -51.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.35 -33.39 75.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.55 0.214 . . . . 0.0 111.414 -178.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -75.58 -33.04 60.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.37 -31.67 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.498 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.545 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . 2.8 pp -98.26 -10.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.895 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 CA--C 1.518 -0.325 0 CA-C-O 121.218 0.424 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.521 HG21 ' OD2' ' A' ' 61' ' ' ASP . 55.7 t -90.85 130.52 39.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.624 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 54.2 p -148.62 138.83 22.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.873 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -78.33 -177.31 5.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 35.1 t -159.5 155.8 27.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.15 116.68 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.89 152.16 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.151 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.25 157.91 1.29 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.08 -28.21 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.95 -6.47 38.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.408 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 14.8 mm100 -109.7 -16.12 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.551 HH22 ' HA ' ' A' ' 55' ' ' HIS . 17.6 ptm180 -73.91 -25.88 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.643 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.4 pp -70.4 -25.9 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.133 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' N ' HD12 ' A' ' 19' ' ' LEU . 13.0 t70 -104.24 -17.91 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.513 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.0 t80 -66.34 -37.38 85.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.4 tp -61.23 -56.43 34.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.276 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 37.2 Cg_endo -66.16 -14.86 46.21 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.851 1.701 . . . . 0.0 110.977 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 1.7 m -72.25 -36.56 69.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.832 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CD2' HG22 ' A' ' 24' ' ' THR . 67.9 m-85 -119.49 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.951 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -40.12 -41.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.549 178.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.535 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 116.05 141.07 7.12 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.299 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 18.4 Cg_endo -58.98 -13.55 19.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.462 2.108 . . . . 0.0 111.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.74 -41.84 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.427 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.3 mp -68.11 -30.33 69.46 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -33.32 -35.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.553 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.5 ptp -103.68 -35.99 8.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.418 . . . . 0.0 110.24 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 23.2 mmm180 -70.12 -12.5 61.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.397 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.4 -45.14 1.01 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.654 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.8 pt-20 -58.29 -34.54 70.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.22 -29.69 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.593 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.675 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -73.6 -36.7 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.353 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.1 m -69.9 -40.9 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -23.6 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -62.35 -40.7 97.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.4 m95 -75.73 -32.84 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.3 tpt -60.17 -47.2 86.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.361 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -67.13 -15.09 63.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.1 mtt180 -82.53 -19.22 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.1 0.476 . . . . 0.0 110.489 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HB3' HG23 ' A' ' 76' ' ' ILE . 17.9 mt -82.24 -29.51 31.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.705 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.746 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 51.4 t -128.65 141.06 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.699 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.86 -21.77 37.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -115.83 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 4.0 t80 -111.1 94.76 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -68.31 -60.23 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.63 -173.27 43.27 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.658 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -174.99 177.34 1.98 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -91.34 97.79 11.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.426 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.76 79.35 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.551 ' HA ' HH22 ' A' ' 18' ' ' ARG . 94.7 m-70 -48.46 142.3 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.365 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 15.6 m-30 -84.94 128.57 34.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.405 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 45.2 m-85 -119.04 140.58 49.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.536 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.53 109.22 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.978 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 124' ' ' LEU . 9.7 mt -85.46 149.6 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.486 ' OG ' HG13 ' A' ' 8' ' ' VAL . 99.9 p -71.02 -25.28 62.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.428 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD2' HG21 ' A' ' 8' ' ' VAL . 14.7 m-20 -71.48 -33.45 69.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.155 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.29 14.37 10.85 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.15 -48.8 4.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 49.6 m-85 64.77 126.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.668 ' HB2' HG21 ' A' ' 97' ' ' THR . 5.1 p90 -140.84 168.57 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 111.504 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.441 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 23.5 mtm -124.5 146.91 48.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -137.21 125.42 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 47.8 Cg_exo -56.12 162.21 7.75 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 30.4 t70 -105.28 88.57 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.508 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.75 HD13 HD22 ' A' ' 74' ' ' LEU . 21.8 mt -138.6 109.58 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.85 107.64 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.61 -159.84 27.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.613 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -107.48 110.7 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.709 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.75 HD22 HD13 ' A' ' 70' ' ' LEU . 2.7 mp -115.91 116.2 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.1 106.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -117.34 108.39 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -80.35 116.78 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.135 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 140' ' ' ALA . 18.6 t -88.08 93.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.395 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.79 -35.46 80.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.47 -27.87 0.17 Allowed Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.45 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.563 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.6 p30 -150.66 13.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.938 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.88 17.04 69.02 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 35.2 t80 -78.71 87.02 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -74.7 106.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.557 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.35 148.67 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.279 . . . . 0.0 110.27 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 8.0 tp -160.92 148.31 15.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.884 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -68.52 158.42 33.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.66 -8.77 4.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.439 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.59 -56.32 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.222 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -77.0 -10.26 59.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.92 -36.04 10.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.807 0.337 . . . . 0.0 110.421 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.44 -20.51 51.47 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.143 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.2 -41.01 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 141' ' ' ILE . 21.3 t -73.06 -33.36 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.166 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.72 -46.42 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.854 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.585 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 141' ' ' ILE . 25.0 mt -57.3 -50.48 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 5.2 m-85 -57.55 -29.49 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.495 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.03 86.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.329 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 88.6 mt -57.91 -41.85 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.314 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.83 -13.6 69.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.487 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 37' ' ' LEU . 31.8 tt0 -91.21 -45.28 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.952 0.376 . . . . 0.0 111.35 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' A' ' 37' ' ' LEU . 89.5 mt -63.35 -34.13 77.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.592 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -64.14 -38.8 92.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.76 -9.15 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.615 0.245 . . . . 0.0 111.358 -179.51 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.618 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.877 0.37 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.3 mm -61.28 -21.28 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -46.33 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.941 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.598 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 10.7 mpt_? -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.077 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 31.6 t80 -54.43 -55.9 24.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -55.88 -30.27 61.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.598 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 18.2 m-85 -67.73 -58.38 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 59' ' ' LEU . 36.0 tp -59.05 -50.55 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -45.94 -37.34 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.325 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.33 89.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.847 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 29.9 t80 -69.22 -29.21 67.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.96 -19.31 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.839 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.55 49.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.59 -8.54 84.59 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.095 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -78.36 150.51 76.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.568 0.223 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.06 -21.95 62.64 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.487 2.125 . . . . 0.0 111.846 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.83 17.55 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.48 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.0 -48.74 4.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.211 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.93 -46.35 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.76 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.22 -38.32 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 91' ' ' ALA . 91.9 mt -66.68 -52.34 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.9 p90 -65.1 -36.1 83.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.76 -30.32 62.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.9 -34.37 78.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.689 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.584 HG22 HG13 ' A' ' 95' ' ' VAL . 49.9 pt -93.97 -13.37 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.984 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.963 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.166 0.403 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 61' ' ' ASP . 90.8 t -101.51 136.09 34.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.291 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.434 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 59.7 p -150.44 141.93 23.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -78.68 178.17 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.8 t -155.74 154.55 31.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.896 0.379 . . . . 0.0 111.235 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' NH2' ' A' ' 18' ' ' ARG . 17.7 tp -87.99 121.2 30.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.07 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.06 149.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.269 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -66.54 143.8 56.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -58.35 -31.33 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.645 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.99 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -113.15 -13.07 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.371 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 9.8 mtt180 -64.38 -34.18 77.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.885 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 20' ' ' ASP . 1.5 pp -63.65 -21.7 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.372 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.676 ' N ' HD12 ' A' ' 19' ' ' LEU . 31.7 t70 -111.71 -16.63 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.162 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 58' ' ' ALA . 19.6 t80 -63.31 -43.9 96.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -63.66 -52.73 56.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.637 -179.499 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.5 -17.66 34.06 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.027 1.818 . . . . 0.0 112.709 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -85.95 -39.19 17.18 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.49 -28.97 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -97.42 -41.16 8.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.538 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.663 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 137.27 138.82 3.8 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.166 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -58.94 -20.21 51.74 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.172 1.914 . . . . 0.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.18 -39.85 8.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.89 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.663 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.6 mm? -69.01 -29.3 67.46 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.542 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -32.06 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.627 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 26.2 ptt? -105.05 -34.68 7.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 0.0 110.395 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 3.6 mmp_? -66.97 -19.18 65.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -107.3 -42.61 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.385 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.712 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.0 tt0 -55.45 -36.27 66.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.92 -26.09 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.991 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -70.75 -39.99 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.907 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 3.5 m -68.64 -42.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.27 -22.17 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.12 -40.93 99.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.722 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.7 m95 -75.32 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 96' ' ' ALA . 34.5 tpp -62.04 -49.72 74.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.458 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -63.92 -17.79 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.389 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 66.9 mtp180 -81.5 -19.8 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB2' HD12 ' A' ' 76' ' ' ILE . 16.9 mt -88.58 -20.75 24.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.55 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.0 t -126.11 139.32 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.736 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.15 -22.93 30.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.155 0.502 . . . . 0.0 110.297 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -114.42 52.65 0.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.883 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.684 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -116.61 102.6 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.979 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -83.22 -67.09 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.54 176.02 41.16 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -167.14 167.42 14.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.895 0.379 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -93.18 96.65 10.15 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 52.6 m95 -75.71 84.17 2.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.768 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 84.9 m-70 -55.35 128.67 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.862 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -72.26 131.05 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.68 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 38.3 m-85 -118.58 140.73 49.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.73 105.47 14.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 124' ' ' LEU . 13.4 mt -83.72 147.82 27.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m -79.92 -0.82 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' HB2' HG11 ' A' ' 8' ' ' VAL . 43.6 t0 -99.13 -9.37 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.07 59.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.677 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 120' ' ' ARG . . . -81.03 -55.23 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.597 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 62.4 m-85 64.25 120.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.775 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.647 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -141.51 167.71 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.747 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.712 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 33.6 mtm -123.16 146.21 47.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.345 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' TRP . . . -137.36 137.29 22.0 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.315 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 33.6 Cg_endo -64.2 162.4 30.08 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.603 2.202 . . . . 0.0 112.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.635 ' C ' HD22 ' A' ' 70' ' ' LEU . 38.6 t70 -105.68 83.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -137.12 113.08 9.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.627 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.18 115.89 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.93 -152.95 20.91 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.727 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 9.9 mpt_? -111.46 117.67 33.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.474 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 70' ' ' LEU . 75.8 mt -102.97 116.44 32.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 39.6 tt0 -66.36 88.67 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.3 mm -109.15 106.81 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.563 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -82.88 119.38 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 45' ' ' LEU . 35.8 t -83.17 92.85 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.214 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 44' ' ' ARG . 4.3 p30 -77.37 21.57 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.174 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -95.51 -19.62 29.37 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.485 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.2 p30 -156.27 12.03 0.28 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.758 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.84 79.75 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.72 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.426 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 55.1 t80 -91.45 96.18 10.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.423 0.611 . . . . 0.0 111.623 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -81.28 111.44 17.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.7 127.96 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.668 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.574 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 40.8 mt-10 -73.19 116.13 13.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mp -126.92 152.95 46.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.477 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.0 p -73.74 162.25 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.282 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.68 -15.95 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -83.11 -57.35 3.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 94' ' ' ILE . . . -71.45 -8.19 52.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.843 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.2 -31.41 10.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.586 ' O ' HG22 ' A' ' 97' ' ' THR . . . -64.85 -13.7 57.16 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.22 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 91' ' ' ALA . 4.1 mt -80.67 -54.9 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.607 HG22 HG23 ' A' ' 141' ' ' ILE . 60.4 t -62.07 -23.4 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' CE ' ' A' ' 42' ' ' MET . . . -75.75 -47.06 27.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.466 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.7 t -75.28 -35.52 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.419 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 101' ' ' LEU . 30.9 mt -62.61 -50.12 72.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.969 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 2.7 m-85 -57.4 -26.29 60.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.409 . . . . 0.0 110.737 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -76.08 -38.28 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD12 HD23 ' A' ' 98' ' ' LEU . 77.3 mt -58.08 -41.11 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.93 -28.09 72.27 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.267 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.454 ' OE1' HD11 ' A' ' 37' ' ' LEU . 31.6 tt0 -78.53 -47.71 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.955 0.377 . . . . 0.0 111.188 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.569 HD11 ' HA2' ' A' ' 34' ' ' GLY . 79.1 mt -60.25 -30.13 69.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.733 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -74.33 -34.34 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.899 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.24 -13.51 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.9 pp . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.38 -31.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.688 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -49.92 -47.53 52.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.253 179.657 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -54.46 -40.2 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.305 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.94 -56.98 15.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -57.28 -27.82 62.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.467 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 119' ' ' ASP . 23.1 m-30 -72.76 -54.38 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.412 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 HD11 ' A' ' 59' ' ' LEU . 58.3 tp -63.17 -46.64 86.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.433 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -45.13 -35.38 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.583 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.02 -30.74 60.75 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.665 -0.778 . . . . 0.0 113.343 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 64.3 t80 -71.19 -34.86 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 111.594 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.625 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -76.71 -15.32 59.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.701 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.29 59.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.545 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -94.98 8.98 70.46 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.714 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.434 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 3.0 m-70 -83.16 151.28 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.524 0.202 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD2' ' OE2' ' A' ' 133' ' ' GLU . 32.3 Cg_exo -58.4 -26.5 77.87 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.637 2.225 . . . . 0.0 112.306 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 131' ' ' HIS . 1.1 pm0 -110.55 15.8 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.62 -40.98 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -48.74 -47.41 41.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.691 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.52 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.291 . . . . 0.0 111.768 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.625 HG21 ' HB1' ' A' ' 128' ' ' ALA . 81.3 mt -67.93 -52.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 3.0 p90 -64.37 -35.59 81.38 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 ptp180 -73.48 -29.44 62.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.051 0.453 . . . . 0.0 109.88 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.74 -35.33 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.866 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.607 HG23 HG22 ' A' ' 95' ' ' VAL . 50.0 pt -89.14 -15.09 9.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.835 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 113.054 0.367 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG11 ' HB2' ' A' ' 61' ' ' ASP . 98.5 t -121.56 134.07 66.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.603 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.477 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.7 p -148.73 141.33 24.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.193 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.28 -178.76 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.3 t -158.63 162.7 37.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.92 124.17 40.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.57 151.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.53 155.34 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.012 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.93 -28.7 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.37 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.02 -4.28 49.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.509 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.1 mm-40 -114.71 -15.86 11.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 11.5 ptm180 -74.41 -24.82 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -67.53 -23.68 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 22.0 t70 -112.0 -15.51 13.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.207 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 18.5 t80 -65.06 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.161 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 13.0 tp -70.92 -55.28 6.82 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 43.5 Cg_endo -68.89 -15.34 40.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.987 1.792 . . . . 0.0 112.162 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -87.73 -40.85 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -107.31 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.5 t80 -92.93 -39.7 11.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.522 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 135.86 135.55 3.46 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.217 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 22.9 Cg_endo -61.29 -20.84 69.84 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.264 1.976 . . . . 0.0 111.507 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.712 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.7 tmt_? -97.01 -40.1 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.778 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 26' ' ' PHE . 8.2 mp -66.11 -34.38 77.92 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.522 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -31.73 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.029 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.614 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 21.9 ptp -101.32 -36.47 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.712 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 3.3 mmp_? -69.49 -12.7 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -107.61 -43.63 1.32 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.232 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.778 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 38.5 tt0 -61.32 -43.56 98.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.6 -31.85 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.246 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.549 HD22 ' HG ' ' A' ' 104' ' ' LEU . 8.8 mp -77.83 -42.72 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.679 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 97' ' ' THR . 40.2 t -57.95 -41.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 111.012 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.79 -23.88 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -65.62 -42.06 91.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.498 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.3 m95 -73.79 -30.78 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.431 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.588 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 5.5 tpt -64.23 -52.83 56.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.606 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 39' ' ' TYR . 7.2 ptp180 -58.5 -14.25 7.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.508 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -86.16 -38.37 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.469 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 76' ' ' ILE . 18.9 mt -59.81 -31.72 69.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.601 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 45.8 t -121.71 154.24 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 110.3 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -92.5 -17.7 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -114.03 7.53 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.945 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.5 t80 -65.75 91.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.401 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -73.91 -39.69 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.899 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.48 -177.17 32.79 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.11 176.89 2.02 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.37 95.5 10.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 111.222 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.13 77.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 92.0 m-70 -52.55 140.81 21.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.506 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.1 m-30 -83.49 135.17 34.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.338 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' SER . 49.4 m-85 -123.01 142.93 50.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.492 . . . . 0.0 111.543 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.54 109.1 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.9 mt -84.25 147.46 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -75.17 -8.82 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.698 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HB2' HG11 ' A' ' 8' ' ' VAL . 7.8 t0 -91.9 -28.66 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.824 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.6 16.05 9.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.76 -51.85 3.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 75.5 m-85 65.21 120.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.2 p90 -136.78 172.74 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.778 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 17.8 mtm -127.22 144.2 51.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.572 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -134.12 124.61 17.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 31.8 Cg_exo -58.47 161.88 13.51 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.558 2.172 . . . . 0.0 111.912 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.2 t70 -103.33 87.05 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.51 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 64.7 mt -140.33 113.04 8.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.803 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.92 159.84 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.246 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.91 -149.83 23.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.664 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -122.77 129.72 52.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.092 0.472 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -128.79 131.07 47.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.896 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 8.7 pt-20 -64.98 112.76 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.8 mm -123.72 104.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.857 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.743 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 42.2 mt-10 -81.68 128.22 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.454 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 80' ' ' GLY . 37.7 t -97.15 95.45 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.87 19.61 0.51 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.381 . . . . 0.0 110.82 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' H ' HG12 ' A' ' 78' ' ' VAL . . . -92.34 -17.89 44.46 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.462 HD21 ' HA ' ' A' ' 140' ' ' ALA . 8.5 p30 -160.03 13.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.699 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.03 16.33 80.63 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.477 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -85.17 92.97 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.126 0.463 . . . . 0.0 111.493 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.743 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 54.1 ttp180 -84.02 111.53 19.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.29 140.39 6.95 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.88 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.4 mp0 -74.41 135.64 42.39 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 tp -152.54 150.21 29.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.3 p -72.24 159.59 33.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.42 -11.72 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.234 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.01 -59.17 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.5 -10.7 59.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.08 -36.49 10.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.386 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.89 -19.61 50.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.294 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -67.33 -38.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 141' ' ' ILE . 59.5 t -81.83 -24.07 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.16 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -66.04 -48.64 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.72 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -80.75 -37.47 30.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.789 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 141' ' ' ILE . 2.0 tp -49.23 -54.21 17.77 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.008 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.17 -34.02 71.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 97' ' ' THR . . . -58.35 -43.15 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.602 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.5 mt -58.84 -41.02 85.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.808 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.06 72.88 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.097 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 31.8 tt0 -76.32 -46.58 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 0.0 111.048 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 37' ' ' LEU . 88.9 mt -58.07 -45.38 87.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.676 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.523 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -58.74 -34.47 71.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.31 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.806 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 18.4 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.222 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.625 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.97 0.414 . . . . 0.0 110.099 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.8 mm -60.68 -25.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.426 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -47.24 44.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.994 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 11.0 mpt_? -55.53 -38.78 69.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.97 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.75 -51.14 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -60.99 -33.91 73.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.311 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 14.3 m-30 -64.9 -55.53 18.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.331 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.479 HD13 HD11 ' A' ' 59' ' ' LEU . 39.5 tp -64.88 -41.77 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.668 HH22 ' HB2' ' A' ' 138' ' ' TYR . 15.1 tpt180 -47.25 -35.49 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.361 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.93 -34.09 62.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.724 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 53.7 t80 -69.79 -26.56 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.754 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.11 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.724 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.01 55.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.968 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.74 -14.97 78.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -70.67 148.85 95.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.632 0.253 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.66 -9.01 24.9 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 111.396 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -119.31 21.58 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.116 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.57 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.27 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.742 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.77 77.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.88 -50.92 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.668 ' HB2' HH22 ' A' ' 125' ' ' ARG . 1.5 p90 -66.25 -36.32 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -72.37 -33.92 67.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.404 . . . . 0.0 110.232 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.62 -33.92 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.755 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.66 HG22 HG13 ' A' ' 95' ' ' VAL . 36.0 pt -91.24 -21.23 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.305 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.948 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo . . . . . 0 CA--C 1.52 -0.223 0 CA-C-O 121.275 0.448 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.84 HG13 ' HB3' ' A' ' 60' ' ' SER . 15.1 t -126.15 139.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 60' ' ' SER . 19.2 p -150.7 145.98 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.024 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -92.29 -177.48 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -166.46 147.68 6.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.85 122.93 20.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 t -85.34 154.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.69 154.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.17 -26.74 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.309 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.99 -5.55 50.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.421 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -113.69 -20.96 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 10.4 ptm180 -70.58 -17.09 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.6 pp -71.43 -24.29 62.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.63 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.4 t70 -111.36 -8.17 14.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.527 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t80 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.488 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 31' ' ' MET . 2.5 mm? -69.09 -57.43 7.51 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -66.59 -5.99 14.29 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.026 1.818 . . . . 0.0 111.744 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.9 m -94.98 -48.43 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.377 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -100.22 -34.96 9.8 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -88.84 -40.46 13.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.55 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 130.92 143.43 5.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 11.6 Cg_endo -55.13 -22.03 30.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.434 2.089 . . . . 0.0 111.821 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HE ' ' HG3' ' A' ' 33' ' ' ARG . 20.1 tpt180 -94.19 -48.71 6.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.308 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 104' ' ' LEU . 7.2 mp -65.83 -23.34 66.66 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.57 -39.02 0.43 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 27.0 ptm -106.03 -41.34 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' HE ' ' A' ' 29' ' ' ARG . 16.1 mmm180 -65.46 -15.02 62.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.972 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.583 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -105.49 -44.24 1.47 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.402 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 15.0 pt-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 109.898 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.37 -31.88 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.28 -38.96 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.024 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.9 m -69.13 -37.07 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.376 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.411 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -79.45 -24.97 42.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.885 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.58 -41.29 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.374 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -66.74 -33.31 75.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.2 tpp -62.13 -49.18 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -65.4 -14.35 60.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.625 0.25 . . . . 0.0 111.154 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -82.14 -21.2 36.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.176 0.512 . . . . 0.0 110.181 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.2 mt -82.91 -25.02 32.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.581 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 44.8 t -135.2 125.32 26.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HG2' ' HG2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -69.89 -19.71 63.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.035 0.445 . . . . 0.0 110.749 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 18.8 mmm180 -113.04 44.68 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.942 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.9 t80 -110.91 96.94 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.402 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -68.26 -68.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.08 -173.06 45.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.652 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.7 3.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.459 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 28.1 m-85 -85.83 96.82 9.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.093 0.473 . . . . 0.0 111.249 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.41 77.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.519 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.67 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.4 m-70 -56.02 136.53 52.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.229 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.696 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.0 m-85 -86.79 134.52 33.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 61.4 m-85 -122.87 144.91 48.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 111.819 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.63 101.16 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.502 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 1.1 mm? -58.55 156.02 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.389 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.84 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.7 t -63.43 -22.24 66.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 110.233 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -103.28 -42.47 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.03 9.0 2.0 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.755 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 120' ' ' ARG . . . -57.38 -38.68 88.11 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 23.8 t80 61.6 112.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p90 -124.18 144.07 50.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.421 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.489 ' SD ' HG21 ' A' ' 38' ' ' VAL . 77.2 mtp -104.63 131.9 51.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.068 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.62 127.74 24.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 50.7 Cg_endo -69.27 162.7 40.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.6 2.2 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t70 -101.27 90.18 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 75.8 mt -150.43 144.53 25.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.152 0.501 . . . . 0.0 111.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 170.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.447 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.51 172.24 40.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.871 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 74' ' ' LEU . 33.0 mmt180 57.15 87.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 73' ' ' ARG . 39.9 mt -136.73 121.71 18.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.679 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.53 110.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.757 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.67 112.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.026 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 9.1 pt-20 -82.66 120.24 25.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.193 0.52 . . . . 0.0 110.048 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 48.1 t -90.03 93.19 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.328 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -64.24 -31.59 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.57 -32.95 0.89 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.237 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -150.71 15.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.78 17.61 71.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 30.3 t80 -77.97 88.52 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -78.14 106.06 9.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.879 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.51 133.97 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.141 -1.028 . . . . 0.0 113.19 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.7 tp -160.01 158.07 29.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 111.284 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.0 p -77.56 158.55 29.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -25.41 60.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.413 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.36 -58.7 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -13.22 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.229 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.54 -36.81 16.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 97' ' ' THR . . . -62.78 -18.25 59.16 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.574 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.74 -44.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.158 0.504 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 141' ' ' ILE . 88.8 t -73.5 -24.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.382 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -73.35 -46.6 48.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.751 0.31 . . . . 0.0 111.345 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 93' ' ' GLY . 4.9 t -74.44 -44.94 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.39 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.591 HD13 HD13 ' A' ' 141' ' ' ILE . 24.4 mt -52.04 -49.32 63.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.4 m-85 -59.26 -34.93 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.228 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 121' ' ' TYR . 89.7 mt -59.11 -43.65 91.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.95 -23.18 74.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.883 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -80.6 -46.22 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.636 0.255 . . . . 0.0 111.141 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 30' ' ' LEU . 68.9 mt -58.05 -29.43 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -74.63 -28.57 60.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.64 -8.77 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.521 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.972 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.301 0.572 . . . . 0.0 109.638 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.718 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.6 mm -70.12 -23.7 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.331 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -43.41 74.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.519 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.666 ' NE ' ' HA ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.8 -28.8 62.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.459 ' HA ' HD13 ' A' ' 101' ' ' LEU . 43.1 t80 -61.94 -48.46 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.701 0.286 . . . . 0.0 110.67 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -57.52 -33.08 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.717 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -71.42 -54.93 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.447 ' HB3' HD21 ' A' ' 98' ' ' LEU . 1.9 tt -53.58 -55.01 29.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.753 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -45.17 -36.09 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.923 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.18 -35.14 88.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.945 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 59' ' ' LEU . 41.6 t80 -65.06 -22.63 67.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.981 0.419 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.07 -7.3 59.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -97.51 25.16 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.244 0.545 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.77 -3.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.021 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -80.08 155.13 75.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.611 0.243 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.476 ' HB2' ' OE1' ' A' ' 133' ' ' GLU . 21.0 Cg_exo -64.79 -20.17 64.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.649 2.233 . . . . 0.0 111.735 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.476 ' OE1' ' HB2' ' A' ' 132' ' ' PRO . 2.3 mp0 -112.58 19.51 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.207 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -44.03 -48.63 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.506 ' HA ' ' CE2' ' A' ' 138' ' ' TYR . . . -48.21 -45.55 34.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.036 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.18 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.04 -52.49 48.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.506 ' CE2' ' HA ' ' A' ' 135' ' ' ALA . 2.8 p90 -65.12 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.93 -31.39 56.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.158 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.79 -32.11 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 98' ' ' LEU . 45.5 pt -97.54 -11.76 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.901 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.025 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 CA--C 1.518 -0.298 0 CA-C-O 121.26 0.442 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 59' ' ' LEU . 4.4 t -98.35 129.82 48.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.566 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 p -145.5 139.36 26.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.87 -178.8 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 37.2 t -159.7 148.59 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.809 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.22 120.4 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.195 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 14' ' ' ALA . 47.4 t -80.1 156.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -58.95 159.72 6.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.21 -30.56 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.27 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -121.47 -19.6 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.687 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.2 ptm180 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.537 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.7 -21.95 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.7 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.51 -11.76 13.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.828 0.347 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -72.76 -44.07 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.65 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -56.69 -52.67 71.82 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 54.4 Cg_endo -69.96 -19.84 34.65 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.078 1.852 . . . . 0.0 111.77 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 m -76.68 -36.08 57.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.621 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.484 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -107.53 -40.62 5.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 133.88 141.87 4.6 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.0 -13.1 21.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.396 2.064 . . . . 0.0 112.211 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.6 mmm-85 -103.24 -45.89 4.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.2 mp -59.8 -31.8 70.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.328 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.62 -35.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 21.7 ptm -99.7 -34.0 10.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.486 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 79.5 mtp180 -68.02 -17.36 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.43 -41.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.679 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.3 tt0 -58.65 -42.88 89.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.52 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -74.84 -23.98 58.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.379 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.622 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -78.2 -34.33 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.342 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 34' ' ' GLY . 6.2 m -71.66 -39.77 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -79.44 -23.07 43.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.616 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -61.93 -41.15 97.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.607 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.3 m95 -78.39 -27.32 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.532 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.2 tpt -67.93 -46.07 72.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.063 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.526 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 10.6 ptm180 -67.26 -20.15 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 111.272 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.19 -52.68 9.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.029 0.443 . . . . 0.0 110.421 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 78' ' ' VAL . 32.1 mt -48.99 -20.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.362 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.648 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -137.41 120.07 16.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -65.63 -25.89 67.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.052 0.453 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.531 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 41.3 mmt180 -103.0 45.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -116.07 98.01 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.958 -179.391 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -76.45 -53.8 7.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.915 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.01 -178.53 44.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.418 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.95 171.34 7.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 111.357 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 19.8 m-85 -89.05 93.27 9.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.316 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.37 77.53 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -48.88 137.27 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.313 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 16.6 m-85 -81.76 127.11 32.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.589 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 41.5 m-85 -120.99 141.53 50.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.58 113.32 23.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.033 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' GLY . 11.3 mt -88.46 149.75 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.2 m -65.55 -26.67 67.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.617 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.49 5.83 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.247 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.34 4.87 87.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -90.01 35.67 3.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.25 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 40.4 p90 -36.14 143.33 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.49 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' HG21 ' A' ' 97' ' ' THR . 8.6 p90 -137.61 172.05 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.627 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.424 ' CE ' HG21 ' A' ' 38' ' ' VAL . 65.6 mtp -122.44 143.78 49.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.33 128.05 13.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.152 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 31.1 Cg_endo -64.48 165.26 20.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.582 2.188 . . . . 0.0 111.808 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 12.0 t70 -122.26 78.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.503 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 71.7 mt -118.05 -179.44 3.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.389 0.614 . . . . 0.0 111.315 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.99 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.01 138.17 13.7 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.635 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 53.72 99.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 70' ' ' LEU . 21.9 mt -121.11 130.54 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.1 tt0 -61.46 98.31 0.08 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.631 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -121.62 106.37 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.197 0.522 . . . . 0.0 110.816 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.4 pt-20 -90.79 133.75 34.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.335 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -105.96 103.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.535 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.98 -33.14 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.49 . . . . 0.0 109.881 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.26 -37.27 3.25 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 113.308 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.508 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -143.17 16.64 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.96 27.62 57.05 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 114.683 0.633 . . . . 0.0 114.683 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 63.1 t80 -88.45 98.27 11.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.021 0.91 . . . . 0.0 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 5.6 mpt_? -86.14 119.12 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.9 146.15 10.57 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.822 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 38.9 mt-10 -86.23 106.01 17.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.72 0.295 . . . . 0.0 110.491 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -117.74 147.91 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.7 p -65.31 159.04 24.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.99 -14.73 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.425 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -82.84 -57.39 3.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -72.83 -14.85 61.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.65 -35.14 14.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.198 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.714 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -58.55 -20.05 44.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.935 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -67.14 -39.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.275 0.559 . . . . 0.0 109.699 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 141' ' ' ILE . 56.0 t -76.79 -29.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.341 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.587 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.52 -46.82 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.608 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -74.29 -42.41 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.565 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 141' ' ' ILE . 31.5 mt -53.6 -51.6 62.52 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.61 -28.86 64.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.738 0.304 . . . . 0.0 111.346 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.39 -36.82 77.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.648 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 93.6 mt -62.68 -44.27 96.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.044 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.23 -34.48 90.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.97 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.31 -42.28 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.09 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.33 -44.16 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -62.28 -35.68 79.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.439 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.72 -15.89 40.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.792 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.63 ' C ' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.409 ' N ' HD22 ' A' ' 117' ' ' LEU . 16.0 mm -58.52 -21.3 17.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.609 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -43.75 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.768 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 6.5 mpt_? -61.93 -37.93 86.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.418 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 29.6 t80 -54.86 -52.86 61.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -54.59 -33.56 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.593 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 25.3 m-85 -67.46 -57.7 6.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 98' ' ' LEU . 55.4 tp -56.69 -52.96 62.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -47.82 -29.33 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.551 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.86 -27.63 45.33 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -73.38 -36.38 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -64.66 -12.71 49.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.394 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.74 -19.16 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.98 -5.41 64.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.319 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -79.28 150.13 73.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.517 0.199 . . . . 0.0 110.911 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.563 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 45.1 Cg_exo -56.74 -35.87 98.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.449 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.563 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 8.3 mp0 -98.54 20.02 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.84 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.543 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.66 76.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.629 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 91' ' ' ALA . 97.1 mt -64.96 -52.14 57.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.4 -35.94 81.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.483 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.85 -30.89 62.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 110.027 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.71 -34.4 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.615 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.619 HD13 HD13 ' A' ' 98' ' ' LEU . 45.7 pt -94.78 -16.22 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.913 -179.783 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo . . . . . 0 CA--C 1.52 -0.22 0 CA-C-O 121.182 0.409 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.491 HG11 ' OD2' ' A' ' 61' ' ' ASP . 58.9 t -99.49 128.69 50.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.268 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.41 140.93 25.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -79.65 177.06 9.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.3 t -155.49 155.64 33.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -89.32 117.94 28.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 14' ' ' ALA . 17.4 t -79.0 157.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -57.22 159.72 4.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.078 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.54 -30.86 61.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.97 0.11 55.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.381 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 24.0 mm-40 -119.24 -18.81 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 111.077 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -67.12 -28.24 67.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.304 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -77.37 -21.72 52.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.712 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -96.12 -15.46 22.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.069 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' O ' ' HB ' ' A' ' 24' ' ' THR . 14.0 t80 -65.79 -38.07 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -60.4 -56.84 31.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 32.2 Cg_endo -64.81 -18.86 63.71 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.788 1.659 . . . . 0.0 111.014 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 3.2 m -64.64 -52.61 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.215 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.63 -68.52 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.278 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 m-85 -46.44 -49.41 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.971 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.534 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 117.38 154.7 9.99 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.214 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.36 -8.43 12.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.339 2.026 . . . . 0.0 111.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HE ' ' HD2' ' A' ' 33' ' ' ARG . 7.9 tpt180 -100.11 -48.17 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 23.0 mt -62.63 -35.55 79.96 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 2.0 ptm -38.85 -29.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 25.8 ptm -103.53 -41.55 5.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.212 -0.305 . . . . 0.0 111.725 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 17.4 ptm180 -81.86 -0.7 44.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.466 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -110.31 -49.76 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.032 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' MET . 4.1 mm-40 -63.2 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.32 61.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.892 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.804 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -79.09 -35.19 42.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.701 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 ' SD ' ' A' ' 66' ' ' MET . 2.5 m -72.49 -39.42 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.102 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.11 52.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.481 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.1 -38.89 87.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 98.6 m95 -81.66 -31.6 32.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.439 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' A' ' 96' ' ' ALA . 13.0 tpt -68.74 -34.42 75.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -79.66 -16.64 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.695 0.283 . . . . 0.0 111.188 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.3 mtt180 -79.47 -54.38 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 78' ' ' VAL . 48.3 mt -45.24 -23.16 0.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.302 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.8 t -121.68 137.99 54.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.888 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -80.24 -26.6 38.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 0.0 110.131 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 90.3 mtt180 -112.49 54.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.81 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.8 t80 -117.72 102.75 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.958 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.49 -29.28 18.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.321 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.472 ' O ' HD21 ' A' ' 70' ' ' LEU . . . 155.44 178.51 29.74 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.58 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -170.71 172.47 5.76 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 14.4 m-85 -88.01 89.98 8.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.579 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -69.32 79.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.43 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -49.6 130.19 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.899 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.704 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.7 m-85 -81.88 129.97 34.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.439 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 49.2 m-85 -117.83 140.2 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.881 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -106.6 103.89 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.891 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.0 mt -80.89 150.17 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.481 ' OG ' HG13 ' A' ' 8' ' ' VAL . 87.1 p -65.7 -26.46 67.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' OD2' HG11 ' A' ' 8' ' ' VAL . 75.0 m-20 -75.8 -23.79 55.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 8.6 51.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.225 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.35 -47.49 12.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.512 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 8.0 m-85 64.92 130.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 124' ' ' LEU . 3.9 p90 -138.12 157.5 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.37 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.516 ' SD ' HG21 ' A' ' 38' ' ' VAL . 37.6 mtp -110.24 143.9 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.66 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.84 112.78 9.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.209 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 50.7 Cg_exo -53.82 165.78 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.648 2.232 . . . . 0.0 112.174 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 14.3 t70 -130.59 79.12 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.107 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 51' ' ' GLY . 77.9 mt -105.76 177.54 4.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.05 -174.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.03 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.83 135.42 13.22 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.011 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 48.43 100.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 0.0 111.905 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -126.15 135.31 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.7 pt-20 -67.62 112.32 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.9 mm -124.96 106.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.699 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 43.3 mt-10 -90.01 128.95 36.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.729 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.776 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -104.37 104.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.729 -179.348 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -62.64 -32.61 73.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.44 -36.03 2.11 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.283 -0.871 . . . . 0.0 113.012 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.561 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.2 p30 -142.1 16.15 2.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.727 0.299 . . . . 0.0 110.871 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.89 56.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.243 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 77.8 t80 -91.73 103.2 15.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.808 0.804 . . . . 0.0 111.394 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.2 ttt180 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.049 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.58 142.92 6.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.322 -0.942 . . . . 0.0 113.116 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.9 mt-10 -78.34 126.02 30.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -132.75 165.86 23.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -78.8 148.41 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -22.85 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.4 -57.18 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -66.14 -13.57 60.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.42 -33.01 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.113 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.91 -18.5 57.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.031 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.2 mm -68.12 -40.26 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 109.79 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 141' ' ' ILE . 48.6 t -80.04 -24.49 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.359 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -71.74 -48.72 45.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.483 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.4 t -74.45 -40.72 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.33 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 124' ' ' LEU . 13.9 mt -52.82 -48.97 66.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.298 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 10.8 m-85 -62.81 -35.4 79.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.071 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -57.51 -44.58 85.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.622 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 121' ' ' TYR . 78.0 mt -57.43 -40.01 77.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.44 -33.48 86.6 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.669 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -74.62 -47.24 33.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.804 ' HG ' HD22 ' A' ' 37' ' ' LEU . 38.3 mt -55.9 -40.13 72.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -67.83 -31.99 72.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.874 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.67 -21.95 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.386 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' HD23 ' A' ' 104' ' ' LEU . 41.1 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.053 0.454 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 117' ' ' LEU . 21.1 mm -67.84 -16.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.34 0.591 . . . . 0.0 110.226 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.05 -44.86 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -70.82 -30.69 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.214 -179.346 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.461 ' HA ' HD13 ' A' ' 101' ' ' LEU . 27.6 t80 -59.99 -46.22 90.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -59.53 -39.36 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.763 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 23.5 m-85 -60.86 -53.57 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 65' ' ' TYR . 1.2 tt -56.64 -51.99 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -48.41 -28.86 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.09 -26.81 35.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.12 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -71.78 -32.85 68.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.942 0.371 . . . . 0.0 111.012 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -66.24 -12.0 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.61 -25.38 38.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.32 -4.98 90.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 111.89 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -81.76 143.06 49.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.85 -34.21 91.62 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.731 2.287 . . . . 0.0 112.474 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.2 pm0 -96.74 17.03 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.61 -38.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.52 -45.13 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 111.474 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.35 68.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.571 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.9 mt -64.49 -53.79 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -64.34 -35.88 82.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.551 0.215 . . . . 0.0 111.481 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -72.76 -30.28 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.53 -35.17 80.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.576 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.755 HG22 HG13 ' A' ' 95' ' ' VAL . 44.2 pt -92.86 -13.64 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 113.488 0.534 . . . . 0.0 113.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 127' ' ' PHE . 3.3 p -89.35 126.9 42.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.196 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.432 ' C ' HD23 ' A' ' 59' ' ' LEU . 68.1 p -146.92 139.38 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.088 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -88.42 -172.14 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 38.2 t -160.02 146.06 15.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.21 117.16 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.81 154.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 167.25 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 11.7 pt-20 -76.38 -28.3 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.13 -1.86 47.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 24.4 mm-40 -117.6 -19.0 9.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.786 ' NH2' ' HA ' ' A' ' 55' ' ' HIS . 13.4 ptm180 -67.77 -26.76 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.382 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.4 pt? -85.43 -21.66 28.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 11.7 t70 -97.39 -14.52 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HE2' ' A' ' 56' ' ' TYR . 4.8 t80 -72.86 -30.95 64.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.5 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.853 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 0.9 OUTLIER -56.52 -57.36 23.9 Favored Pre-proline 0 N--CA 1.456 -0.157 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -67.88 -15.66 44.23 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.176 1.917 . . . . 0.0 111.406 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 4.6 m -67.71 -38.64 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -126.96 -69.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.225 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.15 -37.33 0.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.984 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 112.53 149.33 10.78 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.63 -11.23 25.29 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.391 2.061 . . . . 0.0 112.016 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.89 -38.38 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.675 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.1 tp -71.64 -32.61 68.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.853 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.8 ptm -34.7 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 ptp -108.52 -35.74 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 61.4 mtt180 -74.69 -3.73 33.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.065 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -119.41 -44.54 0.47 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.184 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.8 tt0 -60.45 -31.54 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.594 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -21.33 51.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.74 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -82.11 -36.73 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.33 -37.59 71.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -25.27 43.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.66 -35.47 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.552 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.8 m95 -81.07 -31.74 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 tpt -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.549 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -21.49 40.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.356 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.5 mtt180 -75.29 -56.72 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.835 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HA ' ' A' ' 78' ' ' VAL . 36.5 mt -47.11 -19.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.327 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.4 t -117.91 141.99 47.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.929 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.38 -29.15 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.228 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -112.58 54.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -116.87 97.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.919 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -86.08 -40.21 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.0 166.01 33.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -152.1 152.53 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 0.0 111.219 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 91.07 3.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.944 0.402 . . . . 0.0 111.838 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -63.84 139.19 58.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.385 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.786 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.8 m-70 -118.96 120.97 38.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.635 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -74.8 127.19 32.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.958 0.409 . . . . 0.0 110.99 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.525 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.9 m-85 -121.67 140.12 52.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.213 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.698 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.33 114.39 27.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 63' ' ' GLY . 13.9 mt -89.11 152.45 21.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 -23.43 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.364 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.71 -5.15 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.93 68.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.261 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -93.58 34.3 4.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.405 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.698 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 18.8 m-85 -30.48 134.37 0.06 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.603 0.361 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.632 ' HB2' HG21 ' A' ' 97' ' ' THR . 11.3 p90 -138.29 -178.13 5.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.567 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 56.1 mtp -136.84 148.76 47.31 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.748 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.66 133.88 11.32 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.545 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 45.5 Cg_endo -67.81 169.22 16.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.684 2.256 . . . . 0.0 112.156 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.578 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.2 t70 -114.68 92.12 3.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -133.94 112.0 10.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.07 109.37 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -157.76 23.55 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.834 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -110.95 116.88 31.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.012 0.434 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -114.71 124.69 52.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.127 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.94 106.29 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -116.31 111.34 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.3 pt-20 -90.21 124.3 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.623 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.753 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.8 t -103.54 102.77 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.419 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.84 -36.7 59.54 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.577 0.227 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.38 -24.1 0.34 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.053 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.479 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -144.4 8.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.24 12.34 57.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.878 -0.601 . . . . 0.0 113.218 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -81.47 95.86 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.983 0.391 . . . . 0.0 111.579 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 112.79 22.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.79 135.35 3.57 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.75 -1.214 . . . . 0.0 113.847 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.74 150.4 49.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.094 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 15.5 tp -163.16 144.99 9.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.919 0.39 . . . . 0.0 111.12 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -66.5 159.37 27.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -66.99 -12.04 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.214 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' O ' HD11 ' A' ' 94' ' ' ILE . 12.9 t70 -89.22 -26.37 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.731 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -105.51 -13.07 15.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.13 -38.9 9.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.654 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.622 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -56.91 -27.82 57.0 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.239 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.0 mm -62.51 -35.59 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 109.846 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 141' ' ' ILE . 47.6 t -81.58 -28.25 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.25 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.55 -47.29 70.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.414 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.632 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.1 t -72.53 -42.35 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.44 -48.94 68.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.022 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.31 -30.71 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -68.33 -41.23 81.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.37 -39.29 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.935 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.92 -21.94 76.9 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.018 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.591 ' CD ' HD11 ' A' ' 37' ' ' LEU . 17.0 tt0 -83.91 -49.48 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -39.99 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.31 -32.7 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.69 -8.35 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.293 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.672 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.918 0.39 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.5 mm -63.44 -34.56 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -43.24 63.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.839 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 117' ' ' LEU . 2.0 mpt_? -54.93 -37.04 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.017 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -67.12 -53.47 30.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -54.39 -36.66 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.424 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -75.04 -54.06 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.669 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.73 -56.3 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.792 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -45.71 -39.36 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.48 84.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.992 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' HA ' HG13 ' A' ' 8' ' ' VAL . 24.5 t80 -65.27 -35.86 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -73.66 -2.93 25.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.589 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.74 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.18 4.07 67.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.759 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.92 150.61 65.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 -31.08 94.9 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.583 2.189 . . . . 0.0 112.155 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -100.82 17.85 21.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.06 2.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -55.27 -44.85 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.587 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.42 69.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.745 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.532 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -67.18 -52.15 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.4 p90 -63.69 -36.06 82.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.519 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -72.99 -29.23 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -70.54 -33.43 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.708 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.573 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -94.82 -7.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo . . . . . 0 C--O 1.231 0.144 0 N-CA-C 113.154 0.405 . . . . 0.0 113.154 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 61' ' ' ASP . 8.3 t -66.81 121.25 15.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.314 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.532 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 74.3 p -138.44 138.78 38.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.822 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 170.47 13.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -156.89 158.21 36.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.49 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 55' ' ' HIS . 1.5 mt -90.18 123.46 34.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.119 0.485 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.25 152.64 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.198 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 153.43 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.85 -31.35 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.277 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.31 -1.79 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -121.16 -15.27 8.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 111.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -69.86 -25.24 63.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.556 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.5 pt? -71.35 -21.68 62.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.619 0.247 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.7 t70 -107.8 -11.23 15.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.64 -42.36 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.682 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -57.32 -52.46 74.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.729 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 58.6 Cg_endo -71.9 -17.1 29.1 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.337 2.025 . . . . 0.0 112.482 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.483 HG22 ' HD1' ' A' ' 25' ' ' TYR . 3.0 m -82.61 -35.46 27.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.128 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HD1' HG22 ' A' ' 24' ' ' THR . 6.6 m-85 -101.66 -22.3 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -108.69 -41.17 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 0.0 110.577 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.38 140.28 4.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 20.3 Cg_endo -60.24 -17.29 45.51 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.465 2.11 . . . . 0.0 112.419 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -102.5 -36.39 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.129 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.0 mp -70.46 -35.06 73.09 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.589 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppp? -34.49 -41.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 mtm -86.95 -47.02 9.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.883 0.373 . . . . 0.0 111.581 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' HD21 ' A' ' 104' ' ' LEU . 25.6 mmm180 -70.84 -5.7 32.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -109.53 -46.79 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 38' ' ' VAL . 11.7 pt-20 -60.73 -35.97 77.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 0.0 109.847 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.5 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -79.86 -35.97 37.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.785 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 35' ' ' GLU . 3.5 m -67.77 -42.33 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.59 -23.38 59.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.457 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.27 94.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.4 m95 -80.27 -34.14 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.486 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -64.45 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.94 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -82.79 -12.26 57.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.692 0.282 . . . . 0.0 111.56 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -86.52 -52.84 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 15.4 mt -46.32 -24.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.564 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.2 t -127.94 130.07 47.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.788 0.328 . . . . 0.0 110.621 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.702 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -71.23 -26.08 62.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.702 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 46.4 mtp180 -109.78 49.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -115.28 95.88 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.975 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.44 -46.8 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.68 -171.01 35.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.75 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -177.67 179.56 0.9 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.013 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -87.4 95.58 10.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.038 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 78.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.343 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB3' HD21 ' A' ' 12' ' ' LEU . 85.9 m-70 -50.93 133.41 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.132 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 14.9 m-30 -83.5 124.88 31.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.944 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.5 m-85 -115.2 142.12 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.685 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 104.24 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 12.3 mt -74.96 145.84 42.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.9 t -64.76 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' HB2' HG22 ' A' ' 8' ' ' VAL . 8.7 m-20 -150.62 10.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.678 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -106.64 11.55 42.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' PHE . . . 79.44 -81.92 1.42 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.632 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 13.0 p90 177.97 142.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.62 ' HB2' HD11 ' A' ' 124' ' ' LEU . 1.4 p90 -135.94 150.44 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 22' ' ' LEU . 22.6 mtm -112.94 144.87 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.963 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.06 136.51 15.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 32.8 Cg_endo -64.12 162.84 28.03 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.627 2.218 . . . . 0.0 112.289 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 20.0 t70 -111.11 85.94 2.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.184 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 25.7 mt -144.02 156.01 44.23 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.04 164.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.669 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.18 173.47 44.57 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.869 -1.158 . . . . 0.0 112.782 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 7.5 mpt_? 59.22 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.089 0.471 . . . . 0.0 110.581 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 73' ' ' ARG . 70.9 mt -133.16 130.53 39.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.587 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.7 mt-10 -56.56 108.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.5 mm -128.57 106.25 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.325 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 10.7 pt-20 -84.79 103.79 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.319 0.58 . . . . 0.0 109.866 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 140' ' ' ALA . 16.8 t -81.16 92.91 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.18 -34.39 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.74 -26.7 0.29 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.112 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -151.99 13.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.61 17.89 69.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.385 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 33.4 t80 -80.07 90.29 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.056 0.428 . . . . 0.0 111.397 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -78.85 106.4 10.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.84 144.31 10.59 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.531 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 42.8 mt-10 -81.36 109.08 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 13.6 tp -117.02 155.66 28.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.19 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -76.87 156.76 31.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -24.31 57.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.08 -57.22 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -70.19 -12.72 61.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.33 -38.14 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.95 -19.21 43.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.345 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.564 HG21 ' HB2' ' A' ' 128' ' ' ALA . 2.6 mm -70.58 -43.66 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.551 HG13 HG22 ' A' ' 141' ' ' ILE . 43.2 t -74.66 -21.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -76.25 -48.92 18.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.349 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.2 t -71.25 -40.33 71.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 124' ' ' LEU . 24.2 mt -58.54 -50.41 73.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.357 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 2.8 m-85 -58.06 -35.34 71.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.743 0.306 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -66.68 -39.65 88.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 97' ' ' THR . 88.7 mt -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.77 82.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.195 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -76.3 -47.94 21.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.795 0.297 . . . . 0.0 111.164 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.819 ' HG ' HD22 ' A' ' 37' ' ' LEU . 93.5 mt -61.0 -45.88 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -57.98 -35.06 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.41 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.28 -9.12 34.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.743 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.893 0.378 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.746 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.3 mm -55.63 -29.04 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.197 0.522 . . . . 0.0 110.207 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -46.57 79.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.174 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 6.3 mmt180 -51.8 -39.18 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.085 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.429 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.5 t80 -71.66 -54.53 10.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.067 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -53.06 -29.66 31.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.678 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 24.2 m-85 -89.05 -51.71 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.674 0.273 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 65' ' ' TYR . 4.9 tt -50.07 -57.98 6.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -47.47 -38.03 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.724 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.0 80.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.7 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.532 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 81.0 t80 -64.63 -38.41 90.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -65.16 -11.46 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.599 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.56 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.21 2.01 80.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.407 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 3.0 m-70 -75.09 149.5 85.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.626 0.251 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.13 -10.21 26.38 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.736 2.291 . . . . 0.0 112.442 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -129.77 20.1 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.64 1.53 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.563 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.48 -43.91 45.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -76.35 -39.85 52.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.836 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.547 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.6 mt -62.71 -55.8 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.7 p90 -63.43 -34.36 77.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.565 0.222 . . . . 0.0 111.515 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 12.7 ptm180 -74.72 -28.55 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.505 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.94 -35.29 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.592 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.551 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -91.06 -10.4 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.997 179.732 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo . . . . . 0 CA--C 1.517 -0.338 0 CA-C-O 121.527 0.553 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' OG ' ' A' ' 60' ' ' SER . 50.2 t -107.14 136.27 42.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.69 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.1 p -146.53 140.84 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -88.07 179.68 6.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.2 t -151.89 152.19 32.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 13' ' ' VAL . 2.8 tm? -86.33 133.76 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.728 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' N ' HD13 ' A' ' 12' ' ' LEU . 60.9 t -101.89 144.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.344 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -48.01 148.25 1.78 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.4 pt-20 -70.53 -22.37 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.73 2.32 38.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.72 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 18.2 mm-40 -119.14 -20.61 7.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.091 0.472 . . . . 0.0 110.499 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.682 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 28.1 ptt180 -72.66 -17.47 61.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.161 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.47 -22.6 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.508 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.619 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.9 t70 -120.13 -18.4 8.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.75 -38.42 90.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.679 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.78 -53.46 43.18 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.064 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HB2' ' HA ' ' A' ' 28' ' ' PRO . 58.5 Cg_endo -71.18 -14.96 31.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.388 2.059 . . . . 0.0 112.442 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -80.39 -32.3 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.701 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -107.42 -27.25 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.617 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.4 t80 -97.57 -42.68 7.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.581 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 140.33 136.73 3.37 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.495 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 15.6 Cg_endo -57.23 -19.12 32.89 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.527 2.151 . . . . 0.0 111.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -97.95 -39.86 8.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 179.681 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.5 mm? -69.36 -35.57 75.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.86 -39.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.8 ptm -101.73 -36.72 8.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.853 0.359 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 30.1 mmm180 -71.8 -12.29 61.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.315 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -104.15 -44.97 1.53 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.081 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.7 pt-20 -60.01 -36.09 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 0.0 110.074 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.56 -19.15 60.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.883 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 2.2 mt -84.41 -41.07 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.806 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 35' ' ' GLU . 4.4 m -61.81 -36.62 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.406 . . . . 0.0 110.369 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.89 -22.99 36.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.256 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.03 93.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.835 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 92.0 m95 -78.72 -32.91 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.9 tpt -63.62 -43.84 95.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 15.5 ptm180 -68.74 -18.44 64.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -81.6 -19.81 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 110.666 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 76' ' ' ILE . 65.9 mt -80.91 -25.96 37.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.377 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.946 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -123.28 152.59 41.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.297 . . . . 0.0 110.3 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.48 -18.95 25.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.544 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -117.92 12.64 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 111.503 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.946 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.1 t80 -67.47 93.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.621 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.96 -25.12 60.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.599 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.79 130.98 6.25 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.76 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.37 -164.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -93.07 102.59 14.92 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.76 79.3 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 56.9 m-70 -50.35 134.6 23.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 17.9 m-30 -78.16 133.0 37.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.236 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.2 m-85 -121.36 145.66 47.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.9 95.36 5.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.678 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.8 mt -70.17 151.34 45.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.483 ' OG ' HG13 ' A' ' 8' ' ' VAL . 79.2 p -67.51 -29.16 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.208 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . 81.8 m-20 -72.31 -19.93 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.01 20.64 30.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.18 -42.11 5.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.38 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.464 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.7 m-85 64.74 126.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.554 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.9 p90 -136.42 161.32 36.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.239 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.486 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 66.6 mtp -114.22 134.09 55.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -127.16 130.65 23.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.25 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 27.9 Cg_endo -62.86 155.75 58.1 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.455 2.103 . . . . 0.0 111.712 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.6 t70 -101.77 87.71 3.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.179 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HB2' HD11 ' A' ' 74' ' ' LEU . 93.3 mt -143.55 118.95 10.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.998 0.428 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.95 113.76 27.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.11 -159.38 27.03 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.623 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -100.27 104.1 15.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 110.538 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 70' ' ' LEU . 52.8 mt -91.99 98.96 11.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 41.0 tt0 -65.98 93.52 0.2 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -97.48 154.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.115 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 84' ' ' ARG . 8.5 pt-20 -130.17 91.39 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.75 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.98 98.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.963 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.77 -37.13 76.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.98 -24.52 0.53 Allowed Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.725 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.53 ' OD1' ' HB3' ' A' ' 83' ' ' PHE . 29.1 p30 -142.75 5.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.992 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.29 18.79 65.64 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.731 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.53 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 13.6 t80 -86.78 100.08 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.511 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 78.9 ttt180 -82.87 106.09 14.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.12 137.65 8.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.622 -1.275 . . . . 0.0 114.199 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 33.9 mt-10 -89.72 118.85 29.63 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -138.7 167.53 21.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 0.0 111.453 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -75.55 -168.89 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.151 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -90.78 -21.46 21.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 -57.95 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.48 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.596 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.37 -33.66 10.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.77 -22.75 62.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.385 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -64.91 -40.99 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.517 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.683 HG13 HG22 ' A' ' 141' ' ' ILE . 44.3 t -77.39 -28.49 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.787 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.561 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.04 -48.81 61.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -77.21 -40.2 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.2 tp -50.5 -55.68 14.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG22 ' A' ' 141' ' ' ILE . 22.7 m-85 -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.651 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.05 -42.98 93.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.306 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.81 -26.36 71.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.857 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.421 ' NE2' HD21 ' A' ' 37' ' ' LEU . 53.4 tt0 -80.17 -45.29 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.67 0.271 . . . . 0.0 111.041 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 37' ' ' LEU . 34.8 mt -59.14 -45.98 89.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -57.28 -35.08 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.441 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.17 37.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.684 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.347 -179.644 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.096 0.474 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.8 mm -63.07 -29.76 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -45.42 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.884 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -57.72 -39.49 77.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 22.3 t80 -57.68 -50.41 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.589 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -63.22 -31.42 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 61' ' ' ASP . 19.9 m-85 -66.01 -56.85 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.714 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 65' ' ' TYR . 34.5 tp -61.54 -41.6 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.555 HH11 HD21 ' A' ' 98' ' ' LEU . 15.8 tpt180 -42.08 -34.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 129' ' ' ALA . . . -52.49 -43.14 58.35 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.393 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.84 -40.81 80.95 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HA ' ' CD2' ' A' ' 131' ' ' HIS . . . -83.77 21.62 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.843 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 126' ' ' GLY . . . -120.87 11.89 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.42 14.28 0.12 Allowed Glycine 0 CA--C 1.516 0.114 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.587 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.613 ' CD2' ' HA ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -61.8 140.05 95.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.75 -15.94 21.16 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.548 2.165 . . . . 0.0 110.156 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -111.53 17.57 19.91 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.326 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.556 ' HB2' ' ND1' ' A' ' 131' ' ' HIS . . . -32.56 -47.24 0.15 Allowed 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.441 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -45.12 -51.1 10.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.938 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.757 ' HA ' ' HE ' ' A' ' 139' ' ' ARG . . . -73.07 -41.16 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.93 -50.19 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 134' ' ' ALA . 1.9 p90 -64.83 -41.14 95.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.757 ' HE ' ' HA ' ' A' ' 136' ' ' ALA . 29.1 ptt180 -71.48 -25.83 62.44 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.832 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -77.21 -35.7 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.944 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.683 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -85.98 -17.75 9.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.365 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -96.63 176.79 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.5 p -110.2 -10.16 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.08 -93.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.257 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.51 177.84 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.621 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -110.33 138.45 20.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.3 Cg_exo -69.14 6.28 1.16 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.931 2.42 . . . . 0.0 112.787 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 t -84.02 130.55 35.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.151 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 75.6 p -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.29 168.31 19.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -148.59 160.78 42.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.27 117.63 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.018 0.437 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 148.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.69 152.39 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.384 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 11.9 pt-20 -74.83 -29.54 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.11 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.71 -3.73 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.93 -17.0 9.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 56' ' ' TYR . 17.3 ptm180 -70.69 -20.21 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -25.55 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.624 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 14.4 t70 -113.54 -15.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.397 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.68 -41.46 96.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.598 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -62.76 -54.25 49.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.072 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 56.1 Cg_endo -70.05 -12.84 33.11 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.231 1.954 . . . . 0.0 112.296 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 m -86.87 -33.45 19.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -98.26 -27.07 14.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.467 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.605 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -104.37 -44.34 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.395 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 142.89 140.34 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.162 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -58.42 -18.24 37.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HE ' ' NE ' ' A' ' 33' ' ' ARG . 7.7 tpt180 -101.27 -35.45 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.247 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 26' ' ' PHE . 87.8 mt -72.38 -28.69 63.17 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.615 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.28 -36.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.655 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.2 ptp -97.62 -36.76 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' NE ' ' HE ' ' A' ' 29' ' ' ARG . 98.9 mtt180 -65.27 -21.51 66.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -102.42 -41.76 2.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.996 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.655 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -57.75 -40.03 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.334 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.31 -23.95 54.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.677 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.851 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.71 -35.39 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.6 m -70.94 -41.47 77.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -73.45 -26.15 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.593 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.26 96.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.735 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.9 m95 -76.22 -32.62 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.585 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 6.5 tpt -60.57 -52.43 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.585 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -62.36 -9.17 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.461 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.37 -34.09 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 78' ' ' VAL . 19.1 mt -67.72 -29.95 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.8 t -124.09 133.88 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.697 0.284 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.78 -25.73 56.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -112.64 49.79 0.91 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.783 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -112.81 94.4 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.296 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.84 -58.78 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.08 -172.99 42.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -177.58 179.89 0.88 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.97 100.04 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.95 79.29 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.569 ' HA ' HH22 ' A' ' 18' ' ' ARG . 90.5 m-70 -49.55 145.02 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 11.4 m-30 -89.06 128.77 35.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 49.6 m-85 -117.96 141.86 47.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 131.72 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.52 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 124' ' ' LEU . 16.6 mt -110.55 141.8 43.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.056 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.4 m -78.2 -12.73 60.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.855 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 1.4 p30 -69.19 -21.38 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.1 4.23 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.338 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.29 5.79 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 28.1 p90 -177.27 156.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.629 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -139.15 158.33 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.263 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.482 ' CE ' HG21 ' A' ' 38' ' ' VAL . 14.7 mtm -118.16 141.46 48.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.42 126.93 19.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.6 Cg_exo -59.41 161.8 16.23 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.463 2.109 . . . . 0.0 111.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 89.42 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.28 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 74' ' ' LEU . 95.5 mt -142.18 113.81 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.981 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 113.81 25.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -159.68 26.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.608 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -97.22 102.21 13.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 70' ' ' LEU . 85.1 mt -88.62 105.02 17.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.099 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 42.5 tt0 -65.66 88.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 46' ' ' CYS . 5.1 mm -106.14 105.17 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.644 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.08 101.05 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.227 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 115.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.754 -179.059 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.35 -30.34 64.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.076 0.465 . . . . 0.0 109.85 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.97 -35.72 8.25 Favored Glycine 0 C--N 1.333 0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.226 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.1 p30 -140.76 12.4 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.982 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 26.17 59.45 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 114.134 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 44.3 t80 -84.5 103.7 13.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 117.741 0.77 . . . . 0.0 111.185 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -89.67 113.07 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.394 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.11 141.14 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.687 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 44.8 mt-10 -80.29 124.13 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 87' ' ' LEU . 3.9 mm? -123.63 169.26 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -86.05 160.22 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.733 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.38 -26.59 42.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.62 -57.79 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.725 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.54 60.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.742 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.46 -34.08 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.46 -20.63 59.15 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.419 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.19 -45.82 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.269 0.557 . . . . 0.0 110.284 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 141' ' ' ILE . 22.7 t -71.91 -27.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.585 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.46 -48.09 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.751 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -72.85 -39.66 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.403 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.2 mt -56.58 -51.98 66.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.1 m-85 -57.16 -32.01 65.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.481 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.12 -41.7 85.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 91.4 mt -58.97 -43.06 91.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.39 72.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.265 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -85.45 -45.29 11.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.877 0.339 . . . . 0.0 111.271 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.851 ' HG ' HD22 ' A' ' 37' ' ' LEU . 28.3 mt -61.99 -37.59 85.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.04 -37.65 88.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.358 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.34 -9.46 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.886 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -81.75 -31.22 32.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 114' ' ' ALA . 39.2 pt -88.33 18.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.161 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 60.25 -173.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -73.69 97.32 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.0 p -136.68 166.02 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.15 -21.65 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -88.6 -12.75 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -74.65 -7.53 53.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.75 -13.42 10.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.595 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.9 -49.42 15.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -68.83 -17.12 63.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.7 mm -62.16 -31.38 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.77 -45.81 70.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.944 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -57.14 -38.45 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.99 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 15.7 t80 -60.63 -52.01 66.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -65.35 -32.67 74.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.435 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.528 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 10.2 m-85 -65.68 -52.2 53.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 59' ' ' LEU . 54.4 tp -67.85 -43.98 78.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.29 -35.98 13.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.335 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.7 -31.17 60.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.649 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.621 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 35.2 t80 -69.84 -30.81 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -61.33 -23.53 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.924 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.31 58.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.85 -8.0 87.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 21.1 m-70 -81.25 146.82 59.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.617 0.246 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 25.1 Cg_exo -62.83 -21.85 73.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.677 2.251 . . . . 0.0 111.946 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.3 15.45 28.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.605 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.17 -45.39 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.06 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.77 -47.71 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.798 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -73.58 -38.4 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.423 HG21 ' HB1' ' A' ' 128' ' ' ALA . 92.3 mt -65.17 -52.87 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.58 -36.17 83.35 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 14.4 ptm180 -73.19 -28.17 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 109.963 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.72 -34.42 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -93.77 -13.75 8.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -148.33 -172.89 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 4' ' ' GLU . 9.7 t -142.61 -28.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 3' ' ' THR . 7.5 mm-40 -95.95 152.79 18.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -151.21 118.67 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.648 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.485 ' OE1' ' HB ' ' A' ' 8' ' ' VAL . 3.9 pt20 -85.15 153.01 59.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.34 -18.54 20.43 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.549 2.166 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' HB ' ' OE1' ' A' ' 6' ' ' GLN . 64.6 t -67.07 130.33 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.28 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 81.3 p -145.55 140.34 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.11 177.14 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.008 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.2 t -161.87 160.75 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.66 118.72 30.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.12 153.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -51.85 152.05 3.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.5 pm0 -65.43 -31.94 73.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.61 -2.81 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.549 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 14.7 mm100 -111.69 -16.97 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 13.8 ptm180 -71.96 -27.36 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.8 pp -71.39 -27.09 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.0 t70 -101.97 -9.42 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.549 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.1 t80 -62.53 -38.72 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.171 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 4.0 mm? -58.68 -58.35 19.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.181 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 35.6 Cg_endo -66.56 -10.41 27.77 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 121.85 1.7 . . . . 0.0 111.234 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 2.7 m -76.15 -39.09 55.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.069 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' HE2' ' HE ' ' A' ' 120' ' ' ARG . 12.3 t80 -122.46 -71.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -41.72 -38.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 114.63 145.87 8.96 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 17.8 Cg_endo -59.6 -12.84 18.89 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.408 2.072 . . . . 0.0 111.975 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -99.9 -43.74 6.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.587 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.677 ' HB3' ' HD2' ' A' ' 26' ' ' PHE . 10.9 mp -68.38 -28.32 67.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.4 ptm -32.66 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.4 ptt? -101.39 -36.34 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.705 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 74.5 mtp180 -67.26 -21.36 65.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.302 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -99.95 -45.32 2.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.877 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -58.47 -36.46 73.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.88 0.372 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.41 -30.72 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.66 -33.22 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.0 m -76.4 -39.45 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.322 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -77.27 -22.49 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.5 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.18 92.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.808 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 97.4 m95 -84.02 -31.05 25.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -59.47 -25.84 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.324 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -92.26 -17.52 24.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -82.38 -6.34 59.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 78' ' ' VAL . 16.4 mt -94.23 -25.98 16.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.0 t -129.92 127.31 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.614 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.744 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.4 pt-20 -68.83 -25.19 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.744 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 62.8 mtm180 -108.12 47.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.6 t80 -115.04 95.9 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.171 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -72.51 -49.25 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.23 -172.04 35.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' H ' ' A' ' 69' ' ' ASP . . . -176.25 177.44 1.53 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.685 0.279 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.84 95.72 10.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.21 75.94 0.98 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.072 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.1 m-70 -49.67 141.11 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 24.5 m-85 -85.38 128.78 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 42.6 m-85 -115.19 139.85 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -108.45 105.65 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.957 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 7.5 mt -79.65 150.81 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -76.52 -5.44 47.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.94 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HB2' HG11 ' A' ' 8' ' ' VAL . 9.6 t0 -97.84 -34.67 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.75 0.309 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.94 12.1 6.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.374 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.83 -53.01 4.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.224 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.732 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 29.3 m-85 65.34 124.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.955 0.407 . . . . 0.0 110.756 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.7 p90 -135.26 167.92 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.499 ' HE2' HG21 ' A' ' 38' ' ' VAL . 75.8 mtp -122.92 141.78 51.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.58 130.63 18.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 31.2 Cg_endo -64.71 161.84 34.13 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 23.1 t70 -103.73 84.39 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.803 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 63.0 mt -137.46 109.86 7.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 111.53 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.511 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.29 -173.44 22.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.632 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.89 116.36 29.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.262 0.553 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 70' ' ' LEU . 3.0 mp -118.92 127.45 53.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.52 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 71.9 mm-40 -68.26 107.53 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.1 mm -114.78 106.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.025 0.44 . . . . 0.0 111.025 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 8.3 pt-20 -94.29 96.54 9.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.635 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.753 HG12 HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -71.91 104.53 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.663 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -62.29 -32.39 73.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.34 -35.73 2.8 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.984 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p30 -141.08 13.61 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.92 0.39 . . . . 0.0 110.728 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.15 29.11 59.37 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.873 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 72.0 t80 -89.87 101.11 13.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 117.649 0.724 . . . . 0.0 111.074 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -85.5 115.03 22.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.55 145.56 9.14 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.706 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.52 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 9.0 pt-20 -79.13 127.47 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.4 tp -138.51 150.9 46.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 t -71.21 158.24 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -61.27 -18.34 57.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.88 -58.16 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -15.2 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.364 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.08 13.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.367 . . . . 0.0 110.221 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.97 -17.34 43.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.183 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mm -73.42 -34.42 42.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 141' ' ' ILE . 76.4 t -82.68 -26.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.46 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -71.27 -48.67 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 111.64 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.66 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -71.73 -42.16 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 98' ' ' LEU . 19.9 mt -56.7 -47.81 79.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 3.4 m-85 -59.36 -31.72 69.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.56 -41.14 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.9 mt -57.98 -41.82 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.23 89.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.379 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.625 ' NE2' HD11 ' A' ' 37' ' ' LEU . 24.1 tt0 -77.16 -48.17 18.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.876 0.338 . . . . 0.0 111.298 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.34 -33.22 67.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -75.07 -30.35 60.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.32 -13.84 34.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.58 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.29 -42.51 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 108' ' ' ILE . 24.0 pt -85.07 117.23 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.43 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.22 124.01 27.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -82.05 12.24 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.29 -58.4 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -98.1 -6.32 31.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.369 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.02 -7.69 24.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -118.77 -9.19 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.785 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -82.89 -52.73 6.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -64.55 -17.38 63.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.034 0.445 . . . . 0.0 110.046 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.0 mm -65.47 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -53.13 -41.22 64.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.831 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -61.15 -38.3 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.94 -48.66 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.755 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -61.46 -28.26 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -73.04 -53.5 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 65' ' ' TYR . 47.8 tp -63.92 -44.59 92.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.058 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -47.08 -37.99 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.05 -32.55 73.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.98 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 68.8 t80 -73.55 -27.21 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.667 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.31 -27.22 69.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.53 -22.93 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.43 67.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -68.45 151.68 97.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.41 -12.31 35.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.473 2.116 . . . . 0.0 111.703 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -121.96 25.23 9.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.543 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -45.57 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.805 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -56.83 -44.53 82.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.09 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 111.733 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.407 HG21 ' HB1' ' A' ' 128' ' ' ALA . 95.9 mt -66.91 -53.03 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.2 -34.83 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.351 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.16 -31.97 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.053 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.49 -35.7 81.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 95' ' ' VAL . 45.3 pt -94.25 -12.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.99 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.059 -179.772 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -144.59 122.57 12.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 3' ' ' THR . 4.6 m -140.66 12.46 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.72 2.28 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.351 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.14 156.7 38.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.873 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.67 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 1.7 pp0? -84.75 121.77 74.6 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.14 -14.49 38.13 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.717 2.278 . . . . 0.0 113.214 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 60' ' ' SER . 48.4 t -63.9 135.16 28.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.423 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -148.94 144.26 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -85.85 178.42 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.0 t -157.23 166.94 31.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' NH2' ' A' ' 18' ' ' ARG . 15.3 tp -94.68 133.0 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -99.44 146.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 147.7 52.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 12.7 pt-20 -61.42 -31.01 70.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.457 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 22.9 mm-40 -114.82 -10.5 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' NH2' HD11 ' A' ' 12' ' ' LEU . 31.6 mtt180 -68.23 -31.07 70.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.5 pp -64.44 -23.3 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.274 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.639 ' N ' HD12 ' A' ' 19' ' ' LEU . 22.9 t70 -114.22 -14.52 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.7 t80 -64.77 -39.2 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.698 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -61.41 -54.7 50.19 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' C ' ' A' ' 20' ' ' ASP . 55.0 Cg_endo -70.59 -13.91 32.98 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.205 1.937 . . . . 0.0 112.228 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.0 m -81.13 -39.0 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.766 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 24' ' ' THR . 13.6 m-85 -101.04 -25.56 14.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -103.26 -36.69 7.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.01 147.14 7.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.153 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.31 -17.98 49.98 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.449 2.099 . . . . 0.0 112.009 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -96.72 -43.37 7.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.462 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' MET . 10.2 mp -70.49 -26.94 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.664 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -30.61 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 26.1 ptm -100.15 -34.41 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.595 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 29' ' ' ARG . 39.0 mmt180 -63.45 -31.54 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.288 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.505 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -95.75 -40.81 4.02 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.656 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 13.0 tp10 -53.08 -41.79 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 110.097 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.48 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -82.36 -22.76 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.42 -39.71 77.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.33 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -71.72 -40.25 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.28 -22.11 58.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.428 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.94 -44.4 92.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.276 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.463 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -73.63 -33.49 64.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.578 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.6 tpt -62.42 -45.44 93.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.514 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -68.12 -12.11 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.987 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.9 mtt180 -87.32 -19.0 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.447 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 76' ' ' ILE . 7.7 mt -84.86 -25.21 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.543 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.894 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.1 t -119.57 155.53 32.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.487 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.38 -20.1 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -114.89 14.67 17.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.894 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -69.44 90.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.03 0.443 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -81.64 -21.06 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.174 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.7 173.84 20.51 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -168.06 168.19 12.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.833 0.349 . . . . 0.0 111.386 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -86.93 90.71 8.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -71.61 78.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.491 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 91.8 m-70 -54.26 146.78 14.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 6.3 m-30 -92.05 135.1 34.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.022 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.3 m-85 -122.35 142.83 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.661 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.43 108.79 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 9.6 mt -86.15 154.14 21.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.615 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.2 t -62.98 -30.77 71.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.362 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' OD2' HG21 ' A' ' 8' ' ' VAL . 75.2 m-20 -84.17 -0.91 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.9 8.76 87.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.251 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -60.92 -46.65 94.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.351 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.8 t80 62.49 118.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.033 0.444 . . . . 0.0 111.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.2 p90 -133.5 153.89 51.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.427 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 34.8 mtm -114.86 142.18 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.12 139.4 31.74 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.477 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 42.6 Cg_endo -67.42 162.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.51 2.14 . . . . 0.0 111.77 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.613 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.8 t70 -104.14 86.68 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -139.81 105.07 5.03 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.314 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 115.51 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.11 -152.74 21.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -115.03 118.31 33.05 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 110.733 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -126.04 125.12 42.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 10.0 pt-20 -63.14 112.26 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.217 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -125.56 105.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.5 pt-20 -79.84 124.54 28.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.854 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 140' ' ' ALA . 45.5 t -90.97 90.15 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.258 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -74.71 19.16 0.14 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.657 0.265 . . . . 0.0 111.362 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -94.01 -20.04 31.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.265 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -155.69 11.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.501 -0.349 . . . . 0.0 110.715 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.25 17.99 79.73 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.093 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.5 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 50.1 t80 -86.76 93.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.25 111.4 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.638 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.43 138.0 5.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.549 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 34.8 mt-10 -70.53 137.03 49.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.1 148.17 29.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.906 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.8 m -63.28 -170.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -88.44 -18.29 28.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.247 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -83.57 -58.68 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.731 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -65.28 -18.51 65.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.665 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.12 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 97' ' ' THR . . . -56.91 -20.42 33.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.418 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.46 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.149 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 141' ' ' ILE . 39.0 t -75.2 -29.42 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.34 -46.53 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.546 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -73.36 -42.94 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.424 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' HG ' HD23 ' A' ' 124' ' ' LEU . 37.1 mt -55.43 -50.35 70.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.011 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.1 m-85 -57.65 -31.25 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.945 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -70.05 -40.3 75.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.002 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.71 -42.78 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.205 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.43 76.36 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.614 . . . . 0.0 113.592 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 37' ' ' LEU . 52.9 tt0 -79.49 -47.73 15.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.985 0.392 . . . . 0.0 111.45 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.505 HD11 ' HA2' ' A' ' 34' ' ' GLY . 85.1 mt -56.93 -23.63 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.064 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -81.98 -35.24 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 -9.5 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -86.37 -39.72 16.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.9 pt -73.42 -3.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.323 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 57.51 -166.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 60.5 -175.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 t -130.2 6.5 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -84.01 -67.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.73 -17.27 48.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -5.38 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.53 -2.75 7.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -87.88 -51.47 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 105' ' ' ALA . 3.2 pp -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.007 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.4 mm -49.92 -29.35 5.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.2 OUTLIER -50.7 -41.85 56.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.899 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -59.24 -38.62 80.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -57.17 -55.96 27.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -57.63 -37.6 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -59.77 -56.38 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.514 HD23 ' HG ' ' A' ' 98' ' ' LEU . 61.4 tp -62.28 -46.19 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.219 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -44.09 -37.82 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.377 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.28 -34.58 75.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.997 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.67 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 41.7 t80 -67.41 -28.57 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.987 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.72 -31.14 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.93 -27.1 67.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.39 -12.18 84.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.076 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 55.9 m-70 -85.98 149.04 49.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.501 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 21.7 Cg_exo -64.88 -33.51 52.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.68 2.253 . . . . 0.0 112.083 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.2 mp0 -89.65 15.8 8.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.15 -44.42 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.186 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.28 71.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.78 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.575 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -64.82 -53.04 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -64.59 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.4 -33.07 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.319 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.07 -34.84 78.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.704 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.521 HG22 HG13 ' A' ' 95' ' ' VAL . 47.0 pt -92.51 -14.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.027 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.33 138.49 40.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 m -89.21 -33.62 16.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -82.03 172.58 13.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.689 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -134.68 153.84 51.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' CD ' ' HA3' ' A' ' 130' ' ' GLY . 26.5 pt20 -71.08 120.84 81.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.2 Cg_exo -71.72 0.14 7.48 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.874 2.382 . . . . 0.0 113.026 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 61' ' ' ASP . 62.0 t -121.6 136.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.505 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 77.5 p -146.87 142.35 27.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -87.68 -179.56 6.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 111.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 41.2 t -157.81 165.62 34.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.718 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.74 119.8 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 14' ' ' ALA . 23.8 t -78.82 155.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -55.99 155.32 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.78 -25.93 62.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.367 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.02 -1.63 51.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.747 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm-40 -121.38 -14.87 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.658 0.266 . . . . 0.0 111.487 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 16.7 ptm180 -71.05 -21.13 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.82 -17.61 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.998 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.1 t70 -115.73 -9.57 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 7.7 t80 -72.99 -42.66 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -59.95 -51.37 81.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.738 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 57.6 Cg_endo -71.01 -16.39 32.32 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.237 1.958 . . . . 0.0 111.937 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 25' ' ' TYR . 1.8 m -80.27 -32.21 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.235 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 23.7 m-85 -105.51 -20.61 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -108.78 -39.28 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.486 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.51 140.21 4.08 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.756 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 24.0 Cg_endo -61.03 -16.41 45.42 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.9 tpt180 -99.51 -34.73 10.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 8.5 mp -75.63 -28.86 58.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -31.67 -38.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.6 -31.39 10.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.392 . . . . 0.0 110.672 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 30.8 mmm180 -72.78 -13.59 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -108.87 -44.48 1.11 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.361 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -58.94 -34.57 71.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 110.02 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -79.31 -21.7 45.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.15 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.658 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -78.47 -38.16 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.1 m -68.97 -39.05 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.108 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -79.18 -19.58 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -66.27 -36.56 83.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.553 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.7 m95 -81.16 -33.01 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.717 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.489 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 42.7 tpp -65.07 -45.97 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' CE2' ' A' ' 39' ' ' TYR . 8.6 ptm180 -65.49 -17.77 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.402 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 70.2 mtp180 -82.27 -50.45 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.712 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 33.3 mt -47.62 -25.16 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.815 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 40.5 t -121.9 146.25 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.18 -28.17 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -117.93 54.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.345 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -109.81 91.55 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.76 -41.51 92.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.06 -169.78 28.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.388 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -177.05 178.81 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.05 96.46 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -74.06 75.38 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.171 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -45.67 131.18 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.144 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.523 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 27.2 m-85 -83.67 86.42 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 60.8 m-85 -73.66 148.71 42.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.448 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 113.38 23.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mt -86.85 151.08 23.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.0 p -73.57 -18.47 61.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.0 t0 -87.88 -9.86 52.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.63 7.24 63.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 123' ' ' PHE . . . -102.03 42.51 1.89 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.641 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 10.9 p90 -34.88 143.66 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.551 0.341 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.56 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.5 p90 -134.03 165.13 25.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.224 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE2' HG21 ' A' ' 38' ' ' VAL . 71.4 mtp -115.4 134.01 55.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.1 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -132.41 128.96 21.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 89' ' ' ALA . 46.3 Cg_endo -68.06 162.0 41.9 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 18.9 t70 -103.76 83.89 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 52' ' ' ALA . 1.1 mp -134.9 116.94 15.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.08 107.24 18.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.43 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.516 ' O ' ' HG ' ' A' ' 74' ' ' LEU . . . 144.53 165.5 11.07 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.752 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -61.2 94.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 70' ' ' LEU . 28.7 mt -87.07 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.159 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 43.2 mt-10 -65.38 90.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.5 mm -113.44 106.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.605 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -94.79 139.13 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.682 178.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.578 ' CG2' ' HB3' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -107.31 106.64 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.624 -179.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.94 -32.29 73.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 109.87 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.69 -33.17 4.62 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.281 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.498 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.0 p30 -143.43 14.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.88 29.67 59.12 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.578 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 79.6 t80 -90.19 105.76 18.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.176 0.988 . . . . 0.0 111.202 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -89.27 115.05 26.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.008 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.72 143.06 7.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.027 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.9 mp0 -80.35 135.4 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.372 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.579 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 11.4 tp -141.05 170.05 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.881 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -84.75 161.75 19.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.01 -25.03 66.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.02 -55.67 4.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.84 -6.72 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.734 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.32 -38.57 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.476 ' O ' HG22 ' A' ' 97' ' ' THR . . . -55.22 -29.99 53.82 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.913 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 137' ' ' ILE . 4.3 mt -61.59 -49.27 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.232 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 141' ' ' ILE . 59.7 t -66.52 -22.14 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -75.35 -47.25 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.327 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' HB2' ' A' ' 65' ' ' TYR . 2.7 t -74.6 -42.54 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 101' ' ' LEU . 50.8 mt -51.97 -53.41 41.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 95' ' ' VAL . 12.2 m-85 -57.54 -34.09 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.69 -36.66 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 98' ' ' LEU . 90.5 mt -58.09 -42.58 85.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.914 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.29 -34.02 61.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.028 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -70.07 -50.17 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.583 HD23 HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.02 -40.87 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.809 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.08 -36.52 83.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.82 -12.37 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.14 -33.79 50.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 108' ' ' ILE . 15.3 pt -93.29 101.85 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.72 85.74 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.29 -172.77 4.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.7 t -128.57 -4.01 5.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -106.86 -61.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -79.26 -18.47 52.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.69 58.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 111.257 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.52 -7.99 7.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.36 -48.75 13.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.809 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -72.42 -16.86 61.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.529 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.7 mm -61.18 -34.84 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.318 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.473 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -53.12 -42.95 66.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -54.16 -38.33 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.096 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.28 -54.56 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -58.52 -34.11 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.67 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 23.1 m-30 -67.87 -54.36 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.329 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.1 tp -63.36 -45.64 90.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -46.71 -39.19 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.37 -29.68 63.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.951 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 62.9 t80 -72.53 -34.49 67.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -64.63 -15.09 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.07 -25.11 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.446 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -83.22 -6.45 87.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.119 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.87 145.35 57.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.605 0.241 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.94 -23.8 67.84 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.482 2.121 . . . . 0.0 112.118 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -100.35 15.32 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.14 -45.07 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.02 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.572 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.8 70.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.328 . . . . 0.0 111.698 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 94' ' ' ILE . 89.6 mt -64.68 -52.92 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -65.61 -36.28 83.28 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -71.45 -32.83 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -65.99 -33.29 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.794 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.658 HG22 HG13 ' A' ' 95' ' ' VAL . 49.0 pt -92.06 -16.83 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.944 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -148.48 175.52 11.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -127.8 -5.37 5.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.67 -74.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 66.07 139.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 17.8 pt20 -70.74 141.31 87.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.7 Cg_exo -68.24 -0.23 5.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.832 2.355 . . . . 0.0 112.953 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.479 HG11 ' OD2' ' A' ' 61' ' ' ASP . 23.6 t -128.92 138.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.644 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 64.6 p -145.38 138.23 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.44 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -83.91 -176.28 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.3 t -157.82 149.57 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.7 tp -88.84 118.82 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.54 151.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.88 162.79 1.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -82.92 -28.9 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.72 -1.29 57.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.646 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -122.52 -18.74 6.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.647 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 6.3 ptm180 -69.91 -21.29 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.324 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.71 -23.1 63.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -114.2 -6.07 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 0.0 110.12 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.91 -41.72 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.737 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 31' ' ' MET . 4.5 mt -62.58 -54.63 46.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.457 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 45.7 Cg_endo -68.46 -13.34 37.26 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.087 1.858 . . . . 0.0 112.561 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -91.26 -41.39 10.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 89.0 m-85 -109.3 -33.27 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.2 t80 -89.87 -38.36 13.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.592 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.34 135.49 3.37 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.045 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 16.6 Cg_endo -57.29 -21.51 44.41 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.417 2.078 . . . . 0.0 112.092 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 tmt_? -95.5 -41.36 9.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.125 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 7.8 mp -65.81 -37.3 85.88 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.572 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.54 -42.54 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 19.4 ptp -99.48 -36.19 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 27.3 mmm180 -67.32 -15.49 63.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.177 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -107.14 -42.81 1.46 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.501 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.6 pt-20 -58.68 -40.15 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.96 -25.87 53.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.688 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.654 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -75.44 -34.27 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.5 m -70.95 -39.5 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.46 -21.04 53.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.442 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -64.64 -37.38 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.81 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -83.23 -30.74 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.55 ' HE2' ' HG2' ' A' ' 68' ' ' PRO . 9.6 tpt -59.53 -37.92 79.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -79.03 -4.77 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.233 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.4 mtt180 -94.18 -14.85 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.8 mt -89.39 -25.41 21.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.3 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.849 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.9 t -121.21 150.5 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 11.0 pt-20 -91.18 -20.41 22.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.334 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 98.9 mtt180 -110.43 8.14 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.346 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.849 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -66.1 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 111.047 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -76.42 -57.75 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.743 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.28 160.11 33.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -153.22 152.73 31.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 92.97 4.8 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.505 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 2.4 m0 -66.55 152.49 45.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.449 0.643 . . . . 0.0 111.495 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.584 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 94.4 m-70 -134.15 136.98 44.18 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.663 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.647 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.1 m-30 -88.36 135.27 33.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' SER . 43.3 m-85 -122.0 144.37 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.652 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.681 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.19 99.57 8.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.808 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 14.6 mt -75.23 144.59 42.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 t -73.74 -11.67 60.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.582 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 2.1 p30 -81.57 -20.37 40.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.89 34.63 6.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.4 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -113.93 -41.76 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.693 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.681 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 24.7 m-85 64.38 123.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.648 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 3.5 p90 -133.09 165.59 24.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.088 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 38' ' ' VAL . 69.2 mtp -120.93 140.67 51.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.648 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.89 125.27 11.58 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.36 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 42' ' ' MET . 35.3 Cg_exo -60.73 169.44 5.63 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 111.703 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 70' ' ' LEU . 17.2 t70 -111.91 90.81 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.8 mm? -134.56 109.44 8.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.148 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.58 110.62 22.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.303 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.72 -155.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.702 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -111.62 114.03 26.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 70' ' ' LEU . 2.8 mp -113.05 126.62 55.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 45.6 mm-40 -66.91 104.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.2 mm -115.77 105.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.234 0.54 . . . . 0.0 111.672 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' LEU . 9.9 pt-20 -84.82 102.41 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.833 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 13.3 t -77.12 94.41 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.302 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.32 -35.88 80.33 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.44 -25.6 0.1 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.13 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.596 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.1 p30 -151.85 11.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.27 . . . . 0.0 110.925 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.18 17.95 68.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.287 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 48.9 t80 -78.48 91.49 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.048 0.424 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -78.7 103.7 8.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.84 130.4 2.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.494 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.485 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 11.1 pt-20 -69.57 132.27 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' HG2' ' A' ' 133' ' ' GLU . 16.7 tp -144.92 157.65 44.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 111.162 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.2 p -78.61 173.31 12.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -79.49 -5.17 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.355 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' O ' HD11 ' A' ' 94' ' ' ILE . 11.6 t70 -93.27 -24.63 18.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 110.555 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.86 -11.99 15.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.098 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.74 -36.11 9.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.93 -21.39 52.17 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.221 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.407 HD11 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -68.34 -34.7 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.199 0.523 . . . . 0.0 110.015 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 141' ' ' ILE . 53.4 t -78.97 -33.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -64.67 -45.82 85.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.52 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -71.91 -43.8 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.446 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 141' ' ' ILE . 28.0 mt -53.03 -53.13 54.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.38 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 11.2 m-85 -57.61 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.17 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.654 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -63.78 -44.74 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.65 -41.52 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.26 -28.42 73.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.873 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -78.02 -47.86 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -59.05 -44.81 91.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.783 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -60.22 -34.96 74.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.45 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.41 -19.8 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.721 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 30.4 pt -129.34 29.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.02 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 114' ' ' ALA . . . -62.52 -7.88 5.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.465 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -93.45 11.28 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.0 p -133.64 -177.71 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.299 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.98 -6.46 57.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -88.56 5.16 44.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.098 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 108' ' ' ILE . . . -88.05 -9.34 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.332 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.42 -9.29 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.63 -52.08 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -66.48 -15.66 63.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.994 0.426 . . . . 0.0 110.123 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.9 mm -66.45 -30.93 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -37.81 59.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.462 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 6.7 mpt_? -64.27 -37.13 86.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.5 -39.12 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -24.04 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.941 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.582 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 20.9 m-85 -92.54 -50.33 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.0 tt -50.57 -55.51 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -47.14 -41.5 17.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.779 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.37 -31.26 78.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 79.2 t80 -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.463 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.74 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.224 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.88 -9.15 83.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 11.1 m-70 -74.5 147.79 85.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 26.0 Cg_exo -62.78 -14.66 41.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.698 2.266 . . . . 0.0 112.022 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 4.3 mp0 -116.21 20.12 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.392 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.44 -47.15 4.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.202 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -51.96 -47.84 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.545 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.4 78.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.651 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.3 mt -65.92 -52.54 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.71 -36.9 85.37 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.502 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 18.3 ptp180 -73.93 -28.8 61.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 109.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.517 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.61 -36.24 82.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.651 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.598 HG22 HG13 ' A' ' 95' ' ' VAL . 48.9 pt -92.3 -13.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.983 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ptp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -149.17 18.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -75.16 5.72 5.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.22 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.54 157.08 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 59.74 98.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.58 ' HB2' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -78.97 132.4 63.99 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.283 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 17.0 Cg_exo -68.67 5.34 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.733 2.288 . . . . 0.0 112.499 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 59' ' ' LEU . 3.2 t -76.22 125.16 35.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.134 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' HD23 ' A' ' 59' ' ' LEU . 67.7 p -138.39 138.99 38.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -82.87 176.81 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -158.43 160.72 37.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 tp -93.62 120.59 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 14' ' ' ALA . 10.7 t -82.39 158.39 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -55.63 151.29 11.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.5 pt-20 -72.07 -22.06 61.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.247 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.58 6.36 37.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.561 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.0 mm-40 -125.82 -18.49 5.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 32.8 ptt180 -72.05 -21.75 61.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.269 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.73 -17.64 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.749 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 4.9 t70 -115.89 -9.35 11.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.898 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 21.6 t80 -80.49 -34.97 35.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.941 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.12 -50.85 66.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.291 179.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 59.1 Cg_endo -72.12 -15.49 28.86 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 0.0 111.928 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -84.11 -33.61 24.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.602 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 m-85 -100.37 -27.67 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.296 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.609 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -100.74 -45.48 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.042 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 143.17 140.49 3.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.449 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.58 -19.04 50.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.461 2.107 . . . . 0.0 112.17 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.808 HD22 HD21 ' A' ' 104' ' ' LEU . 95.4 mt -68.59 -35.37 77.27 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.555 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -30.1 -40.35 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.486 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.649 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.1 ptt? -101.38 -31.6 10.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 23.4 mmm180 -74.34 -11.75 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA3' ' HE2' ' A' ' 26' ' ' PHE . . . -109.78 -43.81 1.09 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.105 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.2 pt-20 -57.59 -36.25 71.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 109.779 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -79.12 -17.09 55.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.782 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.6 mt -82.31 -41.85 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.922 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 66' ' ' MET . 4.5 m -66.95 -38.88 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -24.8 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -62.72 -36.58 83.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -79.99 -33.87 39.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.697 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.521 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 10.7 tpt -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.65 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -64.38 -23.43 67.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.698 0.285 . . . . 0.0 111.256 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -78.02 -47.52 18.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' ' 78' ' ' VAL . 71.6 mt -48.03 -26.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.9 t -132.41 123.74 27.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 13.1 pt-20 -65.64 -25.02 67.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.562 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 29.7 mmm180 -107.28 46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.956 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -114.73 96.2 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.966 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -71.82 -48.98 42.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.558 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -178.01 -179.69 0.77 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 21.8 m-85 -91.65 96.31 10.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.465 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -78.37 77.27 4.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.249 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 66' ' ' MET . 92.6 m-70 -44.05 138.52 2.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.234 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 7.0 m-85 -90.79 81.72 5.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.959 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 56.3 m-85 -68.48 149.7 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.55 119.15 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 8' ' ' VAL . 10.1 mt -91.57 151.66 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -67.48 -25.25 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.851 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 7.96 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.666 0.27 . . . . 0.0 111.335 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.51 2.24 87.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.705 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -86.74 30.72 4.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.051 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 29.9 p90 -37.22 144.62 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.888 0.375 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 9.1 p90 -135.37 178.13 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.665 ' HE2' HG21 ' A' ' 38' ' ' VAL . 64.7 mtp -127.31 136.52 52.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.654 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.36 124.42 18.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.358 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 31.8 Cg_exo -58.8 158.59 23.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.577 2.185 . . . . 0.0 111.967 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.8 t70 -104.37 84.22 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 81.7 mt -134.01 105.44 6.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.06 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.43 -149.54 20.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.703 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -128.48 137.22 51.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.096 0.474 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -129.24 153.32 47.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.979 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -91.02 102.53 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.122 0.487 . . . . 0.0 111.018 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -109.92 110.93 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.187 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 35.8 mt-10 -85.57 125.63 33.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.671 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.8 t -99.82 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.96 -37.9 64.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.548 0.213 . . . . 0.0 111.309 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -44.55 -21.52 0.29 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.989 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.48 HD21 ' HA ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -144.76 6.94 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.895 0.379 . . . . 0.0 110.788 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.1 13.42 59.81 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.198 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -82.85 94.84 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 111.472 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 57.8 ttp180 -82.26 110.87 17.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.4 133.83 3.61 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 119.654 -1.26 . . . . 0.0 113.801 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 31.0 mt-10 -74.33 138.2 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.8 tp -157.73 153.16 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -70.11 153.95 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.752 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.46 -12.28 5.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.484 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.15 -58.87 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -75.18 -10.71 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -94.65 -37.37 11.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.146 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.09 -20.34 42.0 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.08 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mm -66.18 -39.47 84.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 109.864 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 141' ' ' ILE . 51.2 t -78.95 -28.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.194 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.63 -47.24 70.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.68 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -72.73 -42.39 64.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.345 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 101' ' ' LEU . 27.9 mt -54.93 -50.66 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.01 -27.18 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -73.4 -36.47 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -63.95 -45.21 90.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.257 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.05 90.9 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.511 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 61.6 tt0 -80.45 -45.73 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.909 0.354 . . . . 0.0 111.343 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.808 HD21 HD22 ' A' ' 30' ' ' LEU . 27.4 tp -61.49 -33.77 74.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.729 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -71.27 -34.41 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 103' ' ' GLN . 43.9 mt-10 -59.29 -21.83 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.651 HG13 ' HB2' ' A' ' 114' ' ' ALA . 31.4 pt -129.62 24.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.4 -22.62 7.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.488 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.17 22.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 112' ' ' ASP . 2.5 m -142.68 172.87 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.647 ' H ' HG22 ' A' ' 111' ' ' THR . 4.5 p30 -84.73 -21.0 30.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.14 0.495 . . . . 0.0 110.552 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.64 -4.38 33.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB2' HG13 ' A' ' 108' ' ' ILE . . . -87.56 -6.59 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.194 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -107.57 -10.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.694 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.41 11.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -66.79 -18.25 65.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.022 0.439 . . . . 0.0 109.905 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 117' ' ' LEU . 7.6 mm -62.02 -33.08 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -47.56 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.1 mpt_? -53.9 -37.22 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.985 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.54 -57.33 11.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -56.64 -45.2 81.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.28 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.58 -56.91 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.19 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.5 tp -55.34 -54.86 38.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.145 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -44.05 -41.46 5.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.21 -36.45 93.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.863 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.38 -28.18 64.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.37 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.89 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.98 -24.63 58.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.88 -11.84 83.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -78.51 146.35 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.561 0.22 . . . . 0.0 110.978 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.71 -21.72 69.79 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 111.728 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -103.56 17.24 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.482 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.72 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.17 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -51.93 -47.1 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.423 ' HA ' ' CD ' ' A' ' 139' ' ' ARG . . . -70.66 -37.18 73.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -66.6 -51.98 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -66.54 -36.1 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.488 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 136' ' ' ALA . 13.2 ptm180 -72.59 -32.5 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 110.068 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.48 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.827 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.718 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -94.5 -13.82 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.793 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.954 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.709 0.29 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -60.07 151.64 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.4 p -131.29 2.78 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.44 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.73 146.16 32.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.17 141.65 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.458 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' OE1' ' HA3' ' A' ' 130' ' ' GLY . 3.3 pt20 -110.05 166.26 11.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.912 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 9' ' ' THR . 40.6 Cg_exo -59.1 -143.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.89 2.393 . . . . 0.0 112.535 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.697 HG11 ' HB2' ' A' ' 61' ' ' ASP . 95.4 t -24.68 134.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.016 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 7' ' ' PRO . 27.6 p -142.34 146.92 35.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.851 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 178.04 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -161.42 161.45 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.4 119.78 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -77.54 155.81 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -54.81 165.2 0.65 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.1 -27.03 30.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.358 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.6 -3.8 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.545 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.5 mm-40 -116.28 -18.58 10.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.73 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 9.9 ptm180 -65.02 -25.79 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.469 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.909 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.74 -15.91 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 111.436 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.617 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.1 t70 -111.29 -14.12 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -70.51 -43.13 70.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -56.09 -53.01 68.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.681 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 55.4 Cg_endo -70.16 -15.68 35.67 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.363 2.042 . . . . 0.0 112.161 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 25' ' ' TYR . 4.9 m -81.99 -32.36 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.869 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 24' ' ' THR . 12.7 m-85 -106.73 -20.12 13.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.57 -35.7 6.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 132.8 138.24 4.05 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.476 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.9 Cg_endo -57.45 -15.94 21.52 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.683 2.255 . . . . 0.0 112.244 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -102.0 -34.36 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.467 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.4 mp -76.27 -26.24 55.73 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 ptm -34.01 -35.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 22.6 ptp -100.92 -34.71 9.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.44 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -67.61 -17.4 64.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.971 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -106.12 -42.94 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.834 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.7 pt-20 -57.42 -37.97 73.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.61 -24.3 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.503 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -76.26 -36.49 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 100' ' ' ALA . 4.8 m -70.24 -38.25 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.833 0.349 . . . . 0.0 111.178 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.89 -24.26 48.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.58 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.606 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 90.2 m95 -78.67 -34.08 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.621 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 1.8 tpt -61.73 -41.78 98.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.851 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -76.42 -9.41 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.77 -179.086 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -93.29 -43.89 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.212 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 50.8 mt -52.46 -24.89 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.813 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.818 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 37.7 t -119.32 139.87 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.229 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 9.8 pt-20 -77.6 -28.83 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.738 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 76.3 mtp180 -115.77 54.83 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.818 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -114.71 97.64 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.977 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -73.34 -47.66 40.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.51 -169.85 33.41 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.729 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -179.76 -177.1 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 29.1 m-85 -91.41 99.55 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.93 0.395 . . . . 0.0 111.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.443 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.59 77.28 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.034 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 82.8 m-70 -49.5 142.23 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.401 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.73 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 25.6 m-85 -85.86 127.64 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 47.6 m-85 -116.44 142.64 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.684 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 118.13 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.631 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.2 mt -91.43 148.31 22.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -75.8 -15.81 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.909 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.697 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.7 t70 -73.52 -21.6 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.67 -3.61 13.38 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.828 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.01 -147.53 19.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.116 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 35.4 p90 -179.58 148.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.744 0.307 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.4 p90 -136.77 160.18 39.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.417 ' HG2' ' HD1' ' A' ' 56' ' ' TYR . 74.5 mtp -116.26 136.66 52.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.62 119.1 18.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.026 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 44.6 Cg_exo -55.48 160.17 9.52 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.329 2.019 . . . . 0.0 111.663 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.4 t70 -101.89 88.71 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 111.281 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 91.3 mt -142.42 111.19 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.77 113.05 25.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.266 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.87 -161.9 28.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.666 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HD3' ' OE1' ' A' ' 86' ' ' GLU . 59.6 mtt180 -101.08 108.75 20.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 70' ' ' LEU . 65.3 mt -101.78 114.57 28.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.476 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 86' ' ' GLU . 5.2 mm-40 -72.68 86.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.732 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.6 mm -97.85 107.47 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 0.0 111.21 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.728 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 41.2 mt-10 -92.16 102.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.552 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -72.47 104.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.608 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -78.3 23.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.901 0.382 . . . . 0.0 110.58 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -104.11 -30.89 4.92 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.552 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.505 HD21 ' HA ' ' A' ' 140' ' ' ALA . 5.2 p30 -137.57 6.91 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 110.081 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.92 24.04 72.88 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 114.236 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 48.5 t80 -85.98 92.46 8.69 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.932 0.866 . . . . 0.0 111.265 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.8 ttt180 -79.64 113.21 17.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.989 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 168.27 38.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.627 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.604 ' OE1' ' HD3' ' A' ' 73' ' ' ARG . 9.6 pt-20 -106.89 126.31 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.476 HD22 ' C ' ' A' ' 86' ' ' GLU . 4.0 mm? -126.94 171.31 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.2 m -86.97 165.49 15.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.843 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.99 -28.33 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 94' ' ' ILE . 12.9 t70 -79.88 -56.41 4.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.53 -18.04 49.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.473 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.621 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -95.62 -33.29 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.063 0.459 . . . . 0.0 110.14 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 97' ' ' THR . . . -63.08 -23.37 65.94 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.632 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 128' ' ' ALA . 5.2 mm -67.28 -48.02 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 0.0 110.139 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.94 -22.57 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.352 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.476 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -75.47 -47.91 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.558 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.589 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -75.01 -42.46 57.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.436 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 141' ' ' ILE . 46.5 mt -54.09 -53.06 58.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.68 0.276 . . . . 0.0 111.29 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 6.8 m-85 -56.29 -35.69 67.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -64.06 -38.54 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.568 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.98 -42.38 94.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.029 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.3 -32.22 68.6 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.252 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.582 ' CD ' HD11 ' A' ' 37' ' ' LEU . 49.8 tt0 -73.95 -48.6 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.837 0.318 . . . . 0.0 111.373 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.6 -40.57 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.623 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -65.68 -33.23 75.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.06 42.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.067 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.28 -55.8 27.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.427 HD11 ' CA ' ' A' ' 114' ' ' ALA . 11.1 pt -65.94 130.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.821 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -44.26 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.01 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.98 109.38 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.3 p -150.68 -173.62 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.9 -14.3 58.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.2 -29.77 34.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.618 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.427 ' CA ' HD11 ' A' ' 108' ' ' ILE . . . -65.64 -9.35 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -129.26 -4.38 4.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.72 -49.28 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 109.873 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.8 pp -63.66 -32.47 73.96 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.709 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.1 mm -48.74 -28.7 2.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.669 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -47.49 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.219 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -54.21 -37.9 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.87 -60.34 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.41 -36.9 69.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -59.51 -57.63 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.195 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.8 tp -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -45.6 -37.46 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.16 66.24 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.499 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 9' ' ' THR . 57.5 t80 -70.24 -45.57 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.353 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -68.79 -10.05 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.521 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.09 -19.78 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.523 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.491 ' HA3' ' OE1' ' A' ' 6' ' ' GLN . . . -111.6 13.79 27.49 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.124 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 2.6 m-70 -79.65 159.69 71.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.629 0.214 . . . . 0.0 110.68 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.478 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 19.7 Cg_endo -59.47 -26.71 82.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.58 2.187 . . . . 0.0 111.92 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.5 mp0 -113.08 19.35 17.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.708 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.5 -47.39 5.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.82 -42.91 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.767 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.91 57.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.521 HG21 ' HB1' ' A' ' 128' ' ' ALA . 88.3 mt -65.59 -51.85 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -66.73 -34.98 79.04 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.494 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 13.7 ptm180 -74.41 -31.01 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -64.16 -32.82 74.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.699 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.552 HD13 HD13 ' A' ' 98' ' ' LEU . 48.9 pt -95.44 -14.6 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -159.41 -2.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 3' ' ' THR . 8.9 m 65.46 1.26 1.61 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -133.59 137.71 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.45 134.24 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.2 pt20 -101.18 133.3 21.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 11.6 Cg_exo -72.45 3.66 4.03 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.676 2.251 . . . . 0.0 111.869 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 60' ' ' SER . 40.6 t -75.49 125.89 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.466 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 56.6 p -142.91 139.06 30.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.948 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.09 176.51 9.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.7 t -157.47 156.14 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.2 tp -85.71 117.66 24.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -78.88 146.16 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -54.64 150.67 9.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.51 -32.24 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.74 -5.5 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.528 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.5 mm-40 -112.35 -15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 17.5 ptm180 -73.38 -17.86 61.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.601 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.7 pp -72.93 -26.11 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' N ' HD12 ' A' ' 19' ' ' LEU . 7.4 t70 -110.55 -16.29 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.558 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.1 t80 -67.29 -33.83 76.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 11.8 tp -65.35 -54.7 30.01 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.977 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 51.8 Cg_endo -69.93 -10.97 29.69 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.087 1.858 . . . . 0.0 112.102 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.4 m -91.23 -39.82 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CD1' HG22 ' A' ' 24' ' ' THR . 24.9 m-85 -104.47 -28.01 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.4 t80 -99.78 -38.88 8.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.48 138.19 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 29.6 Cg_endo -62.94 -20.59 71.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.453 2.102 . . . . 0.0 112.224 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' NE ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -101.87 -28.4 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.944 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 9.1 mp -75.97 -33.32 59.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.517 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.1 ptm -32.67 -40.61 0.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -97.93 -40.02 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -179.016 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.944 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 11.5 ptm180 -71.33 -11.31 60.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.735 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -103.95 -44.07 1.69 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.771 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 12.1 pt-20 -60.04 -37.69 80.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.38 -18.6 60.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.902 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.8 mt -81.41 -37.2 28.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.755 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 4.1 m -70.7 -37.99 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.051 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -27.99 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -58.42 -37.96 76.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.6 m95 -82.08 -32.66 30.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.9 tpp -63.8 -52.59 59.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.74 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -19.32 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.9 mtp180 -84.33 -23.29 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD22 HG12 ' A' ' 78' ' ' VAL . 22.0 mt -69.81 -28.12 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.398 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 47.4 t -130.33 137.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.732 0.301 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.3 pt-20 -76.51 -25.02 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.639 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 75.8 mtp180 -109.16 48.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.022 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.665 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.2 t80 -114.66 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.206 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -73.32 -54.02 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.19 -173.47 42.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.16 177.02 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.921 0.391 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.08 94.82 9.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.688 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 79.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB3' HD11 ' A' ' 12' ' ' LEU . 88.5 m-70 -50.25 131.91 24.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.377 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 22.7 m-30 -80.39 132.25 35.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.111 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 11' ' ' SER . 46.8 m-85 -117.87 141.05 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 111.92 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.39 104.74 14.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.494 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.8 mt -85.76 152.65 22.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.8 m -62.76 -29.42 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 8' ' ' VAL . 98.5 m-20 -88.66 6.34 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.29 7.71 64.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.0 86.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.298 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 56' ' ' TYR . 29.4 t80 63.21 121.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.945 0.402 . . . . 0.0 111.311 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.627 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.5 p90 -133.63 148.36 51.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.554 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 71.7 mtp -105.31 135.16 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.902 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.69 123.73 20.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.8 Cg_exo -59.96 164.36 12.24 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.577 2.185 . . . . 0.0 111.757 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.7 t70 -107.66 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -134.46 102.66 5.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.209 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.68 112.81 20.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.65 -148.28 18.66 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -112.89 111.52 22.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.89 114.45 27.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.554 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 15.2 mm-40 -57.22 108.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.822 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.0 mm -123.97 106.63 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.003 0.43 . . . . 0.0 111.235 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.47 106.25 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.22 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -72.84 111.08 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.763 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.25 22.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.14 -25.26 8.44 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.509 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 4.7 p30 -145.18 8.53 1.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.988 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.97 23.54 67.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.959 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.531 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 50.1 t80 -83.58 92.55 7.67 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 117.923 0.862 . . . . 0.0 111.154 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.037 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.71 128.78 1.38 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.762 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 10.6 pt-20 -61.81 141.28 58.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.572 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.7 tp -151.48 146.61 26.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -62.44 155.19 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.11 -13.36 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.08 -59.2 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.122 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -69.19 -16.91 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.92 -36.39 12.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.269 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.54 -19.14 40.34 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.316 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.06 -40.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 141' ' ' ILE . 40.8 t -73.44 -33.85 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.5 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -66.58 -46.98 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.738 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.627 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -71.59 -44.21 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.528 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.53 -52.07 63.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.291 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 4.9 m-85 -55.54 -35.07 65.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.57 -39.39 93.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 95.4 mt -62.89 -45.26 93.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.993 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.54 94.76 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.222 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -75.21 -46.26 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 0.0 111.174 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 117' ' ' LEU . 2.4 tm? -56.84 -34.55 67.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.571 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.569 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.03 -15.97 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.467 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.78 -35.9 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 104' ' ' LEU . 22.0 pt -87.35 120.54 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.47 179.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.207 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 66.14 146.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.009 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 111' ' ' THR . 4.4 m -90.59 16.5 8.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.64 -70.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.57 -23.67 53.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -7.22 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -125.7 -7.03 6.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.34 -49.82 7.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.168 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 104' ' ' LEU . 2.2 pp -63.79 -30.67 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.626 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 118' ' ' ILE . 18.1 mm -48.92 -28.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -46.23 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.981 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -61.78 -37.36 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.432 -179.427 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.423 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 10.0 t80 -57.23 -50.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -64.05 -34.2 77.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.62 -56.74 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 65' ' ' TYR . 61.9 tp -61.84 -47.4 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.6 -37.03 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.35 78.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.679 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 71.6 t80 -71.59 -25.78 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.513 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.2 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.653 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.51 -21.97 66.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.58 -13.32 67.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 27.1 m-70 -71.41 144.92 89.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.565 0.221 . . . . 0.0 111.003 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 33.6 Cg_exo -61.8 -13.72 32.19 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 111.834 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -118.34 21.14 12.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.778 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -40.5 -45.35 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.451 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -54.07 -44.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.564 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -72.49 -39.72 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.749 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 91' ' ' ALA . 95.8 mt -62.05 -54.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -64.66 -36.16 83.37 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 15.6 ptm180 -74.77 -23.5 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 109.954 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -73.07 -36.6 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.884 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -90.94 -11.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.966 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -85.15 0.52 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p -58.77 -20.7 52.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.74 132.54 50.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.634 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -131.44 141.66 49.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 25.3 pt20 -109.51 135.56 20.32 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.747 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 11.8 Cg_exo -71.03 -2.48 11.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.744 2.296 . . . . 0.0 112.796 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 61' ' ' ASP . 20.8 t -127.24 136.17 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.283 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 72.9 p -139.84 139.82 36.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -91.16 174.3 7.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -157.03 166.56 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.8 tp -99.05 117.99 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.1 p -85.33 152.57 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.273 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.16 159.8 0.42 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.307 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -77.04 -25.12 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.423 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.05 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.668 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -113.88 -18.17 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 0.0 111.258 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.708 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.5 ptm180 -66.59 -21.4 66.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.55 -19.49 55.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.465 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 25.1 t70 -104.63 -19.36 14.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 64' ' ' PHE . 24.6 t80 -65.52 -43.49 89.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -59.27 -54.32 57.35 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.54 -18.83 33.06 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.138 1.892 . . . . 0.0 112.407 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -81.65 -33.15 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.917 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -103.87 -18.74 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -112.73 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.025 0.441 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.02 137.68 3.86 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 19.2 Cg_endo -58.68 -12.63 14.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.425 2.083 . . . . 0.0 112.012 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.562 HH21 ' HE ' ' A' ' 33' ' ' ARG . 6.4 tpt180 -101.95 -39.11 7.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.485 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 10.2 mp -71.06 -28.69 64.55 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.36 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ptm -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.742 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HE ' HH21 ' A' ' 29' ' ' ARG . 99.8 mtt180 -64.9 -22.83 67.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -99.55 -41.28 2.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.56 -41.48 85.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -28.34 62.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.603 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -72.67 -42.49 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 0.6 OUTLIER -64.75 -41.19 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.785 -179.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -26.75 59.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.5 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -63.7 -44.69 92.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.752 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.2 m95 -69.71 -31.69 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.426 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 8.3 tpt -64.99 -51.4 61.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.807 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.5 ptt180 -61.08 -13.28 15.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -88.78 -28.43 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.703 HD22 ' HA ' ' A' ' 78' ' ' VAL . 35.4 mt -76.91 -28.18 55.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.716 ' HB2' HD13 ' A' ' 76' ' ' ILE . 43.6 t -126.58 130.6 50.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.698 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -76.53 -23.35 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.06 0.457 . . . . 0.0 110.2 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.518 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mmm180 -105.61 47.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.921 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.605 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -118.09 97.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.108 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -83.24 -71.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.844 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.05 165.45 31.2 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.86 33.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.827 0.346 . . . . 0.0 111.573 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.68 94.69 9.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 64.6 m95 -75.96 80.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.129 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 82.2 m-70 -53.24 146.3 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.375 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 23.2 m-85 -92.37 129.29 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 11' ' ' SER . 47.2 m-85 -114.76 140.09 49.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.439 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.31 101.49 11.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.572 ' HB3' ' H ' ' A' ' 62' ' ' GLY . 10.0 mt -74.68 145.15 43.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.2 m -70.8 -25.5 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.258 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 8' ' ' VAL . 6.6 m-20 -153.44 14.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -116.84 11.65 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.457 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.06 -82.83 1.21 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.132 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.676 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 31.6 p90 179.61 142.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -132.36 149.08 52.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.438 ' SD ' HG11 ' A' ' 38' ' ' VAL . 59.3 mtp -104.71 133.84 48.87 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.396 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -129.81 130.6 23.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.955 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 54' ' ' TRP . 44.0 Cg_endo -67.63 159.81 50.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.429 2.086 . . . . 0.0 111.762 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.62 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.9 t70 -100.73 84.23 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.542 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -138.25 110.78 7.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.61 112.89 24.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.98 -156.3 25.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.632 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -106.55 111.82 24.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.044 0.45 . . . . 0.0 110.73 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 70' ' ' LEU . 72.7 mt -99.03 132.48 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.079 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 9.6 pt-20 -85.51 93.21 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.666 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.716 HD13 ' HB2' ' A' ' 46' ' ' CYS . 4.1 mm -109.32 105.04 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.51 104.25 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.895 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.703 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.15 110.0 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.503 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -33.92 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.112 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.63 -33.08 8.53 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.798 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.491 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.6 p-10 -133.4 8.58 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.63 52.06 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.485 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 46.7 t80 -89.13 112.42 23.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.484 0.642 . . . . 0.0 111.312 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -96.47 112.79 24.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.85 130.26 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.04 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 38.6 mt-10 -71.1 124.57 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.557 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 91' ' ' ALA . 3.0 mm? -127.89 164.43 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.0 p -84.55 156.35 21.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.879 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -52.37 -28.36 19.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.54 -56.65 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.283 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' A' ' 87' ' ' LEU . . . -67.31 -15.68 63.83 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.89 -36.66 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -60.94 -14.68 39.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.566 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 128' ' ' ALA . 3.8 mm -74.16 -40.86 51.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.081 0.467 . . . . 0.0 110.603 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 141' ' ' ILE . 61.5 t -76.61 -27.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.819 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' HG23 ' A' ' 38' ' ' VAL . . . -72.87 -50.5 23.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.6 ' HA ' ' HB ' ' A' ' 38' ' ' VAL . 5.6 t -69.86 -41.23 75.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.663 0.268 . . . . 0.0 111.082 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 124' ' ' LEU . 20.2 mt -56.44 -50.79 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.499 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HE1' HG22 ' A' ' 141' ' ' ILE . 5.9 m-85 -57.79 -31.4 66.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.709 0.29 . . . . 0.0 111.36 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.99 -41.3 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.07 -41.17 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.413 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.27 77.08 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.593 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 37' ' ' LEU . 21.9 tt0 -77.98 -48.67 15.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.966 0.383 . . . . 0.0 111.551 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 37' ' ' LEU . 83.3 mt -60.01 -40.32 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.434 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -62.03 -34.74 76.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.99 -9.22 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -89.79 -42.32 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.475 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 114' ' ' ALA . 34.1 pt -67.71 -6.31 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.442 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.08 -163.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.308 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 61.15 -176.55 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 p -127.44 -6.04 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -79.8 -15.41 57.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.424 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -78.31 -5.56 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.41 -12.05 9.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.83 -51.05 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -68.35 -17.0 64.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 117' ' ' LEU . 15.4 mm -63.46 -31.96 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -43.7 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.831 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 10.4 mpt_? -56.79 -37.61 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.957 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -70.28 -51.66 28.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -52.05 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.686 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.629 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 23.5 m-85 -88.36 -50.76 6.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.087 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' ' 98' ' ' LEU . 4.3 tt -49.84 -56.14 11.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.432 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.651 ' NH1' HD11 ' A' ' 141' ' ' ILE . 21.4 ttt85 -46.79 -40.6 13.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.36 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.17 -34.17 88.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.51 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 76.1 t80 -69.92 -35.03 74.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.05 -18.36 63.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.27 -26.94 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.029 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.89 -3.21 90.66 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.249 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.0 151.9 67.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.583 0.23 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.42 -18.42 49.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.566 2.178 . . . . 0.0 112.026 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.77 16.68 21.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.566 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.77 -44.99 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.139 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -54.48 -44.69 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.548 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.674 ' HA ' ' NE ' ' A' ' 139' ' ' ARG . . . -70.57 -36.02 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.5 mt -67.33 -51.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -66.64 -35.4 80.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 136' ' ' ALA . 40.5 ptt180 -74.14 -33.16 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.105 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.65 -30.45 71.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 95' ' ' VAL . 42.6 pt -96.96 -15.59 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -105.76 -5.21 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 3' ' ' THR . 7.0 m 62.07 7.16 2.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.3 -3.3 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -151.79 108.63 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.77 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' CD ' ' HA3' ' A' ' 130' ' ' GLY . 28.5 pt20 -86.66 126.23 64.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.2 Cg_exo -71.4 -0.65 8.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.858 2.372 . . . . 0.0 112.656 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -127.27 140.08 50.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.257 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.5 p -146.44 142.69 28.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -87.35 171.44 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -155.01 167.66 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.66 HD11 ' NH2' ' A' ' 18' ' ' ARG . 13.5 tp -92.27 129.29 38.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 58' ' ' ALA . 16.6 t -89.5 153.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.328 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -59.49 145.22 44.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.922 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -63.7 -26.41 68.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.485 -179.66 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.01 -9.49 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -111.72 -14.55 13.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' NH2' HD11 ' A' ' 12' ' ' LEU . 16.1 mtt180 -66.33 -32.47 73.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.27 -23.16 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.646 ' N ' HD12 ' A' ' 19' ' ' LEU . 8.2 t70 -115.74 -8.23 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.292 . . . . 0.0 111.407 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.66 -35.1 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.755 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 1.1 mm? -65.41 -54.97 27.69 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 37.2 Cg_endo -66.71 -8.45 21.24 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.948 1.766 . . . . 0.0 111.591 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.87 -45.69 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.316 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HE2' ' HA2' ' A' ' 62' ' ' GLY . 11.1 m-85 -97.75 -36.97 10.05 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.87 -44.94 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 110.077 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.9 148.17 5.42 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.09 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 15.0 Cg_endo -56.75 -23.45 49.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.432 2.088 . . . . 0.0 112.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -95.65 -46.44 6.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.379 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 26' ' ' PHE . 82.5 mt -65.59 -27.29 68.31 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.471 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -33.79 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.367 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.706 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.8 ptp -105.58 -37.98 6.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 0.0 110.446 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 4.5 mmp_? -66.3 -15.35 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -106.38 -43.64 1.45 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.365 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.706 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.6 pt-20 -56.4 -34.12 66.42 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.93 65.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD21 ' HG2' ' A' ' 103' ' ' GLN . 9.6 mt -70.31 -41.43 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.9 m -63.91 -39.97 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -78.25 -28.4 47.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -59.38 -47.26 86.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.8 m95 -70.83 -33.53 70.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 2.4 tpt -59.04 -37.47 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 17.2 ptm180 -84.54 -13.13 52.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 53.6 mtp180 -83.92 -10.21 58.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.633 ' HB2' HD12 ' A' ' 76' ' ' ILE . 21.7 mt -93.16 -18.64 22.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.66 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.5 t -146.45 120.18 9.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.414 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -26.28 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.183 0.516 . . . . 0.0 110.045 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -91.77 41.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -117.16 98.82 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -82.77 -17.41 44.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.3 139.3 10.46 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.84 -158.9 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.728 0.299 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -92.91 99.56 12.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.504 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -80.78 80.46 7.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.001 -179.379 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.496 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 86.6 m-70 -50.33 148.09 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.352 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HE1' ' HE3' ' A' ' 66' ' ' MET . 14.5 m-85 -91.77 133.15 35.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.072 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -117.88 141.93 47.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.698 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB2' HG22 ' A' ' 13' ' ' VAL . . . -106.7 93.33 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.0 mt -66.15 146.8 54.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 t -68.82 -19.27 64.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.584 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -88.87 -32.27 17.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HE2' ' A' ' 25' ' ' TYR . . . 111.14 34.17 2.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.3 -42.93 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 7.1 t80 63.51 114.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.969 0.414 . . . . 0.0 111.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -130.33 146.94 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.447 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 73.1 mtp -104.73 132.84 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.99 125.13 23.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.464 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HG3' ' HD1' ' A' ' 54' ' ' TRP . 35.2 Cg_exo -59.29 157.14 31.82 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 111.786 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 27.9 t70 -100.84 83.91 2.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.402 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -142.52 115.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.689 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.48 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.516 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.24 -166.99 27.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.754 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -94.43 106.33 18.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 70' ' ' LEU . 57.6 mt -100.46 109.35 21.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.375 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.46 95.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.086 0.47 . . . . 0.0 110.323 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -111.36 110.75 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.783 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -85.53 105.12 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.179 0.514 . . . . 0.0 109.985 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 140' ' ' ALA . 23.4 t -72.7 95.04 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.413 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -64.66 -34.09 77.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.779 0.323 . . . . 0.0 110.723 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.06 -29.44 0.2 Allowed Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.315 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.562 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 p30 -153.64 14.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 0.0 111.317 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.06 19.01 73.44 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.79 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 49.3 t80 -83.75 93.01 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.215 0.507 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -80.49 109.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.983 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.85 116.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.457 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.74 124.75 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.3 tp -138.48 178.38 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.131 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -80.85 160.07 24.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.717 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -60.84 -23.04 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.04 -59.28 2.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.35 -12.49 60.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -92.54 -34.46 14.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.024 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.538 ' O ' HG22 ' A' ' 97' ' ' THR . . . -65.18 -18.51 65.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.363 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mm -68.37 -43.44 84.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.085 0.469 . . . . 0.0 110.186 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 141' ' ' ILE . 37.5 t -76.19 -23.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -74.03 -47.5 36.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.474 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 65' ' ' TYR . 7.1 t -75.85 -43.09 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.635 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.95 -51.03 59.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.531 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.2 m-85 -58.77 -32.66 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.72 -43.66 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.42 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 72.2 mt -56.38 -41.09 75.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.44 -30.98 73.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.668 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' HD21 ' A' ' 37' ' ' LEU . 3.1 tp-100 -71.76 -49.61 37.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.498 HD12 HD22 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -59.72 -46.39 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.17 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.506 ' CA ' HD21 ' A' ' 117' ' ' LEU . . . -65.04 -10.69 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.45 -25.34 12.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 16.2 mm-40 -70.07 -19.34 63.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 114' ' ' ALA . 14.3 pt -115.51 106.36 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.23 15.67 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.61 163.62 4.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.5 p -99.15 -12.92 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.265 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.31 -47.85 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -98.03 -152.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 108' ' ' ILE . . . 67.58 -9.61 0.42 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.776 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 113' ' ' ALA . 12.2 m-20 -128.83 -6.8 5.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.396 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -86.63 -47.09 9.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.875 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 105' ' ' ALA . 1.8 pp -65.21 -29.84 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.45 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.5 mm -50.03 -31.34 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.451 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -53.2 -45.27 68.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 179.281 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 11.0 mpt_? -57.11 -34.35 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.42 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 22.0 t80 -70.64 -47.46 59.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.32 -33.5 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.31 -51.76 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.9 tt -52.02 -54.59 28.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.318 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 121' ' ' TYR . 39.1 ttm180 -44.79 -40.3 5.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.592 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.85 -36.92 93.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.703 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 85.6 t80 -70.62 -33.01 70.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 131' ' ' HIS . . . -61.51 -25.31 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . . . -73.17 -26.74 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.478 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -84.39 -7.55 84.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.39 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 8.1 m-70 -70.0 152.15 95.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.614 0.245 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.89 -4.36 11.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.515 2.143 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -134.15 27.31 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.309 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 138' ' ' TYR . . . -41.62 -42.85 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.976 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.42 94.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.319 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.24 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.969 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 141' ' ' ILE . 53.5 mt -77.82 -27.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.618 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' ' 134' ' ' ALA . 1.2 t80 -69.85 -47.42 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.933 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 ptm180 -76.71 -26.69 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.444 ' HA ' HG11 ' A' ' 78' ' ' VAL . . . -66.91 -36.8 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.645 HG22 HG13 ' A' ' 95' ' ' VAL . 38.0 pt -93.79 -15.47 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.961 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -91.44 -9.04 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -75.95 -4.2 39.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.83 169.81 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.6 114.66 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.735 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -65.3 152.78 91.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' THR . 58.5 Cg_endo -72.72 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.595 2.197 . . . . 0.0 113.403 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.544 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 30.4 t -45.21 124.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.91 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 7' ' ' PRO . 65.2 p -139.41 140.05 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.402 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.69 162.97 19.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 111.316 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -150.12 155.88 40.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.5 tp -85.6 137.11 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.6 135.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -41.56 146.54 0.22 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.5 pt-20 -63.71 -23.97 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.956 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 -2.45 37.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -111.0 -20.96 12.23 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.236 0.541 . . . . 0.0 110.449 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 15.6 ptp180 -71.83 -17.05 62.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.661 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -77.7 -29.95 51.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.243 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 19' ' ' LEU . 27.4 t70 -107.0 -20.0 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.691 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 41.9 t80 -62.5 -26.63 68.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 26' ' ' PHE . 10.6 tp -73.75 -57.05 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 39.7 Cg_endo -68.18 -19.98 44.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.03 1.82 . . . . 0.0 112.519 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -92.32 -41.51 10.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -97.36 -45.63 6.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.46 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.7 t80 -77.49 -44.41 28.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.346 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.889 ' HA3' HD13 ' A' ' 30' ' ' LEU . . . 127.48 146.54 6.42 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.258 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.35 -12.21 34.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.507 2.138 . . . . 0.0 111.229 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.5 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -123.91 30.06 6.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 ' HA3' ' A' ' 27' ' ' GLY . 5.7 mp -138.95 -36.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.104 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.506 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -41.99 -49.24 4.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.294 179.423 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.2 ptm -88.46 -39.1 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.561 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 104' ' ' LEU . 19.3 mmm180 -55.43 -32.79 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.187 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.625 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -100.62 -36.74 3.93 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.192 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.56 -50.36 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.351 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -68.93 -31.58 70.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.998 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.802 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -65.9 -42.42 90.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.64 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.7 m -72.82 -39.75 59.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -73.03 -31.58 64.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.833 -179.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -57.54 -49.39 76.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 110.116 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.521 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -64.67 -36.04 82.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.838 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.5 tpt -61.23 -49.16 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.768 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 4.5 ppt_? -68.97 -9.92 54.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.41 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.8 mtp180 -89.72 -17.28 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.719 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 76' ' ' ILE . 12.2 mt -83.48 -23.17 32.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.7 t -131.61 135.07 46.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.944 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.662 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.2 pt-20 -79.71 -19.02 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 110.139 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 42.1 mtm180 -112.53 47.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.572 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.3 t80 -113.46 93.3 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.787 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -80.98 -0.58 40.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.33 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.42 15.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.24 174.46 2.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.663 0.268 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.21 96.62 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.84 78.55 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' HB3' HD11 ' A' ' 12' ' ' LEU . 82.3 m-70 -51.91 127.3 20.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.963 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.598 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.8 m-30 -73.88 131.47 41.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.302 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 40.7 m-85 -118.43 138.72 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.074 0.464 . . . . 0.0 111.675 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.72 97.5 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 8' ' ' VAL . 9.9 mt -72.24 151.4 42.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 92.6 p -62.94 -27.09 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.26 -29.44 31.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.24 15.38 17.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.289 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -71.65 -40.8 58.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.45 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE2' ' HB3' ' A' ' 56' ' ' TYR . 43.4 t80 62.92 113.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.913 0.387 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 1.1 p90 -125.39 144.44 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.637 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.66 129.58 53.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.268 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -124.41 130.19 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.115 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 42.7 Cg_endo -67.72 159.54 52.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.515 2.143 . . . . 0.0 111.936 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.38 86.79 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 53.3 mt -144.28 101.79 3.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.835 0.35 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 143.15 30.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.493 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.31 177.79 24.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.736 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -82.43 121.61 26.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.143 0.497 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 pt? -129.57 123.66 31.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.782 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.6 pt-20 -66.84 112.9 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -124.91 109.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.76 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.2 pt-20 -81.2 112.82 18.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.331 0.586 . . . . 0.0 110.486 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 140' ' ' ALA . 21.6 t -79.34 90.92 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.337 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -63.69 -31.62 72.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.53 -30.8 0.93 Allowed Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 113.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.55 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.9 p30 -150.43 14.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.157 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.73 72.28 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.126 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.55 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 47.7 t80 -86.98 94.07 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -78.44 107.34 11.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.006 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.05 131.5 2.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.275 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.5 mt-10 -63.41 139.76 58.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 14.9 tp -153.0 140.13 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -61.98 160.34 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.29 -19.7 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.652 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.5 -60.4 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.63 -19.83 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.243 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.35 -36.64 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.81 -17.5 54.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.422 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -73.62 -38.25 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 141' ' ' ILE . 46.2 t -77.18 -26.46 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.351 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.534 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.93 -45.7 60.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.513 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.6 t -74.5 -43.43 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.807 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.1 mt -53.9 -54.5 37.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.644 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 7.1 m-85 -55.21 -30.74 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.502 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.87 -41.5 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.393 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 96.3 mt -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.86 -35.92 92.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.657 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -79.5 -48.81 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.942 0.371 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 108' ' ' ILE . 20.1 tp -57.91 -24.76 59.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.635 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -76.96 -35.61 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.99 -6.02 54.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.44 -43.39 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.432 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 104' ' ' LEU . 45.4 pt -68.84 -44.52 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.443 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -170.99 -167.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -155.62 9.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 p -115.29 -65.8 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.317 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.45 -60.82 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 108' ' ' ILE . . . -89.67 86.23 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.417 ' H ' ' H ' ' A' ' 115' ' ' ASP . . . -177.4 -8.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.998 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 114' ' ' ALA . 4.6 p-10 -124.82 -8.7 7.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -84.04 -51.02 7.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 110.237 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 105' ' ' ALA . 2.3 pp -62.74 -27.4 69.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.65 179.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 118' ' ' ILE . 16.3 mm -51.91 -27.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.471 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.2 OUTLIER -52.72 -42.86 65.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.728 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.522 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 3.2 mpt_? -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.7 t80 -66.05 -48.67 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -55.98 -33.64 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -80.84 -55.65 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 65' ' ' TYR . 2.9 tt -48.92 -59.68 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -45.24 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.94 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.68 72.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.844 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 72.2 t80 -66.29 -35.63 80.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -62.06 -20.35 63.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.316 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.31 68.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.02 -4.88 88.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.278 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 24.4 m-70 -83.73 146.11 48.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.13 -9.17 22.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.721 2.281 . . . . 0.0 112.435 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -119.62 19.74 12.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -45.8 -42.71 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -52.48 -43.3 64.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.578 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.01 -33.1 59.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.437 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -70.5 -51.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.35 -33.39 75.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.55 0.214 . . . . 0.0 111.414 -178.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -75.58 -33.04 60.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.37 -31.67 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.498 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.545 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . 2.8 pp -98.26 -10.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.895 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.75 136.18 39.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -105.22 -12.17 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.324 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.89 174.86 9.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -146.7 115.16 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' H ' HE21 ' A' ' 6' ' ' GLN . 0.2 OUTLIER -98.95 123.11 50.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.786 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.5 Cg_exo -69.8 8.64 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.875 2.384 . . . . 0.0 112.849 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.521 HG21 ' OD2' ' A' ' 61' ' ' ASP . 55.7 t -90.85 130.52 39.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.624 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 54.2 p -148.62 138.83 22.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.873 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -78.33 -177.31 5.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 35.1 t -159.5 155.8 27.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.15 116.68 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.89 152.16 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.151 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.25 157.91 1.29 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.08 -28.21 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.95 -6.47 38.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.408 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 14.8 mm100 -109.7 -16.12 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.551 HH22 ' HA ' ' A' ' 55' ' ' HIS . 17.6 ptm180 -73.91 -25.88 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.643 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.4 pp -70.4 -25.9 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.133 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' N ' HD12 ' A' ' 19' ' ' LEU . 13.0 t70 -104.24 -17.91 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.0 t80 -66.34 -37.38 85.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.4 tp -61.23 -56.43 34.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.276 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 37.2 Cg_endo -66.16 -14.86 46.21 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.851 1.701 . . . . 0.0 110.977 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 1.7 m -72.25 -36.56 69.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.832 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CD2' HG22 ' A' ' 24' ' ' THR . 67.9 m-85 -119.49 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.951 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -40.12 -41.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.549 178.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.535 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 116.05 141.07 7.12 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.299 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 18.4 Cg_endo -58.98 -13.55 19.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.462 2.108 . . . . 0.0 111.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.74 -41.84 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.427 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.3 mp -68.11 -30.33 69.46 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -33.32 -35.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.553 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.5 ptp -103.68 -35.99 8.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.418 . . . . 0.0 110.24 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 23.2 mmm180 -70.12 -12.5 61.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.397 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.4 -45.14 1.01 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.654 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.8 pt-20 -58.29 -34.54 70.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.22 -29.69 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.593 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -73.6 -36.7 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.353 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.1 m -69.9 -40.9 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -23.6 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -62.35 -40.7 97.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.4 m95 -75.73 -32.84 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.3 tpt -60.17 -47.2 86.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.361 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -67.13 -15.09 63.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.1 mtt180 -82.53 -19.22 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.1 0.476 . . . . 0.0 110.489 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HB3' HG23 ' A' ' 76' ' ' ILE . 17.9 mt -82.24 -29.51 31.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.705 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.746 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 51.4 t -128.65 141.06 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.699 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.86 -21.77 37.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -115.83 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 4.0 t80 -111.1 94.76 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -68.31 -60.23 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.63 -173.27 43.27 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.658 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -174.99 177.34 1.98 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -91.34 97.79 11.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.426 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.76 79.35 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.551 ' HA ' HH22 ' A' ' 18' ' ' ARG . 94.7 m-70 -48.46 142.3 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.365 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 15.6 m-30 -84.94 128.57 34.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.405 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 45.2 m-85 -119.04 140.58 49.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.536 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.53 109.22 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.978 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 124' ' ' LEU . 9.7 mt -85.46 149.6 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.486 ' OG ' HG13 ' A' ' 8' ' ' VAL . 99.9 p -71.02 -25.28 62.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.428 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD2' HG21 ' A' ' 8' ' ' VAL . 14.7 m-20 -71.48 -33.45 69.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.155 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.29 14.37 10.85 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.15 -48.8 4.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 49.6 m-85 64.77 126.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.668 ' HB2' HG21 ' A' ' 97' ' ' THR . 5.1 p90 -140.84 168.57 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 111.504 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.441 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 23.5 mtm -124.5 146.91 48.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -137.21 125.42 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 47.8 Cg_exo -56.12 162.21 7.75 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 30.4 t70 -105.28 88.57 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.508 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.75 HD13 HD22 ' A' ' 74' ' ' LEU . 21.8 mt -138.6 109.58 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.85 107.64 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.61 -159.84 27.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.613 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -107.48 110.7 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.709 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.75 HD22 HD13 ' A' ' 70' ' ' LEU . 2.7 mp -115.91 116.2 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.1 106.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -117.34 108.39 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -80.35 116.78 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.135 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 140' ' ' ALA . 18.6 t -88.08 93.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.395 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.79 -35.46 80.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.47 -27.87 0.17 Allowed Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.45 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.563 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.6 p30 -150.66 13.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.938 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.88 17.04 69.02 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 35.2 t80 -78.71 87.02 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -74.7 106.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.557 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.35 148.67 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.279 . . . . 0.0 110.27 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 8.0 tp -160.92 148.31 15.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.884 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -68.52 158.42 33.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.66 -8.77 4.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.439 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.59 -56.32 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.222 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -77.0 -10.26 59.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.92 -36.04 10.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.807 0.337 . . . . 0.0 110.421 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.44 -20.51 51.47 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.143 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.2 -41.01 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 141' ' ' ILE . 21.3 t -73.06 -33.36 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.166 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.72 -46.42 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.854 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.585 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 141' ' ' ILE . 25.0 mt -57.3 -50.48 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 5.2 m-85 -57.55 -29.49 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.495 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.03 86.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.329 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 88.6 mt -57.91 -41.85 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.314 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.83 -13.6 69.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.487 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 37' ' ' LEU . 31.8 tt0 -91.21 -45.28 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.952 0.376 . . . . 0.0 111.35 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' A' ' 37' ' ' LEU . 89.5 mt -63.35 -34.13 77.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.592 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -64.14 -38.8 92.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.76 -9.15 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -86.67 -4.95 59.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.615 0.245 . . . . 0.0 111.358 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.582 HG13 ' H ' ' A' ' 109' ' ' ALA . 23.0 pt -109.9 -53.64 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.582 ' H ' HG13 ' A' ' 108' ' ' ILE . . . -174.9 -156.18 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.58 128.79 25.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 90.9 m 64.53 125.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 111' ' ' THR . 12.2 m-20 72.02 14.98 5.68 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.593 0.711 . . . . 0.0 110.01 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.49 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -159.72 -51.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.116 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 109' ' ' ALA . . . -92.58 4.48 53.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.73 0.04 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.73 -59.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.618 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -64.15 -16.0 60.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.303 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.3 mm -61.28 -21.28 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -46.33 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.941 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.598 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 10.7 mpt_? -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.077 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 31.6 t80 -54.43 -55.9 24.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -55.88 -30.27 61.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.598 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 18.2 m-85 -67.73 -58.38 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 59' ' ' LEU . 36.0 tp -59.05 -50.55 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -45.94 -37.34 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.325 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.33 89.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.847 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 29.9 t80 -69.22 -29.21 67.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.96 -19.31 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.839 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.55 49.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.59 -8.54 84.59 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.095 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -78.36 150.51 76.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.568 0.223 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.06 -21.95 62.64 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.487 2.125 . . . . 0.0 111.846 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.83 17.55 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.48 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.0 -48.74 4.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.211 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.93 -46.35 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.76 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.22 -38.32 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 91' ' ' ALA . 91.9 mt -66.68 -52.34 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.9 p90 -65.1 -36.1 83.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.76 -30.32 62.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.9 -34.37 78.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.689 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.584 HG22 HG13 ' A' ' 95' ' ' VAL . 49.9 pt -93.97 -13.37 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.984 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.963 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.3 p -113.54 -14.72 12.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -93.8 156.37 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -171.02 150.47 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.005 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 7.9 pt20 -132.66 108.31 13.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.92 4.96 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.824 2.349 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 61' ' ' ASP . 90.8 t -101.51 136.09 34.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.291 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.434 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 59.7 p -150.44 141.93 23.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -78.68 178.17 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.8 t -155.74 154.55 31.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.896 0.379 . . . . 0.0 111.235 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' NH2' ' A' ' 18' ' ' ARG . 17.7 tp -87.99 121.2 30.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.07 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.06 149.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.269 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -66.54 143.8 56.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -58.35 -31.33 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.645 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.99 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -113.15 -13.07 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.371 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 9.8 mtt180 -64.38 -34.18 77.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.885 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 20' ' ' ASP . 1.5 pp -63.65 -21.7 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.372 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.676 ' N ' HD12 ' A' ' 19' ' ' LEU . 31.7 t70 -111.71 -16.63 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.162 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 58' ' ' ALA . 19.6 t80 -63.31 -43.9 96.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -63.66 -52.73 56.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.637 -179.499 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.5 -17.66 34.06 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.027 1.818 . . . . 0.0 112.709 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -85.95 -39.19 17.18 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.49 -28.97 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -97.42 -41.16 8.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.538 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.663 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 137.27 138.82 3.8 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.166 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -58.94 -20.21 51.74 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.172 1.914 . . . . 0.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.18 -39.85 8.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.89 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.663 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.6 mm? -69.01 -29.3 67.46 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.542 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -32.06 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.627 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 26.2 ptt? -105.05 -34.68 7.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 0.0 110.395 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 3.6 mmp_? -66.97 -19.18 65.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -107.3 -42.61 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.385 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.712 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.0 tt0 -55.45 -36.27 66.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.92 -26.09 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.991 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -70.75 -39.99 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.907 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 3.5 m -68.64 -42.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.27 -22.17 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.12 -40.93 99.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.722 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.7 m95 -75.32 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 96' ' ' ALA . 34.5 tpp -62.04 -49.72 74.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.458 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -63.92 -17.79 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.389 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 66.9 mtp180 -81.5 -19.8 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB2' HD12 ' A' ' 76' ' ' ILE . 16.9 mt -88.58 -20.75 24.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.55 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.0 t -126.11 139.32 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.736 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.15 -22.93 30.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.155 0.502 . . . . 0.0 110.297 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -114.42 52.65 0.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.883 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.684 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -116.61 102.6 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.979 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -83.22 -67.09 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.54 176.02 41.16 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -167.14 167.42 14.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.895 0.379 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -93.18 96.65 10.15 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 52.6 m95 -75.71 84.17 2.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.768 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 84.9 m-70 -55.35 128.67 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.862 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -72.26 131.05 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.68 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 38.3 m-85 -118.58 140.73 49.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.73 105.47 14.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 124' ' ' LEU . 13.4 mt -83.72 147.82 27.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m -79.92 -0.82 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' HB2' HG11 ' A' ' 8' ' ' VAL . 43.6 t0 -99.13 -9.37 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.07 59.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.677 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 120' ' ' ARG . . . -81.03 -55.23 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.597 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 62.4 m-85 64.25 120.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.775 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.647 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -141.51 167.71 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.747 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.712 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 33.6 mtm -123.16 146.21 47.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.345 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' TRP . . . -137.36 137.29 22.0 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.315 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 33.6 Cg_endo -64.2 162.4 30.08 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.603 2.202 . . . . 0.0 112.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.635 ' C ' HD22 ' A' ' 70' ' ' LEU . 38.6 t70 -105.68 83.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -137.12 113.08 9.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.627 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.18 115.89 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.93 -152.95 20.91 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.727 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 9.9 mpt_? -111.46 117.67 33.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.474 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 70' ' ' LEU . 75.8 mt -102.97 116.44 32.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 39.6 tt0 -66.36 88.67 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.3 mm -109.15 106.81 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.563 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -82.88 119.38 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 45' ' ' LEU . 35.8 t -83.17 92.85 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.214 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 44' ' ' ARG . 4.3 p30 -77.37 21.57 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.174 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -95.51 -19.62 29.37 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.485 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.2 p30 -156.27 12.03 0.28 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.758 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.84 79.75 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.72 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.426 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 55.1 t80 -91.45 96.18 10.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.423 0.611 . . . . 0.0 111.623 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -81.28 111.44 17.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.7 127.96 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.668 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.574 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 40.8 mt-10 -73.19 116.13 13.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mp -126.92 152.95 46.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.477 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.0 p -73.74 162.25 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.282 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.68 -15.95 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -83.11 -57.35 3.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 94' ' ' ILE . . . -71.45 -8.19 52.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.843 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.2 -31.41 10.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.586 ' O ' HG22 ' A' ' 97' ' ' THR . . . -64.85 -13.7 57.16 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.22 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 91' ' ' ALA . 4.1 mt -80.67 -54.9 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.607 HG22 HG23 ' A' ' 141' ' ' ILE . 60.4 t -62.07 -23.4 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' CE ' ' A' ' 42' ' ' MET . . . -75.75 -47.06 27.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.466 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.7 t -75.28 -35.52 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.419 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 101' ' ' LEU . 30.9 mt -62.61 -50.12 72.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.969 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 2.7 m-85 -57.4 -26.29 60.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.409 . . . . 0.0 110.737 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -76.08 -38.28 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD12 HD23 ' A' ' 98' ' ' LEU . 77.3 mt -58.08 -41.11 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.93 -28.09 72.27 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.267 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.454 ' OE1' HD11 ' A' ' 37' ' ' LEU . 31.6 tt0 -78.53 -47.71 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.955 0.377 . . . . 0.0 111.188 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.569 HD11 ' HA2' ' A' ' 34' ' ' GLY . 79.1 mt -60.25 -30.13 69.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.733 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -74.33 -34.34 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.899 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.24 -13.51 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -77.77 -39.8 42.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 114' ' ' ALA . 36.8 pt -78.79 24.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.366 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.4 93.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 111.018 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -160.37 23.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.193 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.6 m 66.13 98.75 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -177.48 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.137 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -112.19 -97.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . 59.5 -0.58 0.17 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 113' ' ' ALA . 39.2 t70 -129.65 -8.33 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.87 -50.32 8.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.011 0.434 . . . . 0.0 110.161 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.9 pp -64.21 -30.64 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.734 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.38 -31.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.688 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -49.92 -47.53 52.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.253 179.657 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -54.46 -40.2 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.305 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.94 -56.98 15.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -57.28 -27.82 62.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.467 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 119' ' ' ASP . 23.1 m-30 -72.76 -54.38 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.412 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 HD11 ' A' ' 59' ' ' LEU . 58.3 tp -63.17 -46.64 86.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.433 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -45.13 -35.38 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.583 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.02 -30.74 60.75 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.665 -0.778 . . . . 0.0 113.343 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.542 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 64.3 t80 -71.19 -34.86 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 111.594 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.625 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -76.71 -15.32 59.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.701 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.29 59.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.545 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -94.98 8.98 70.46 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.714 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.434 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 3.0 m-70 -83.16 151.28 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.524 0.202 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD2' ' OE2' ' A' ' 133' ' ' GLU . 32.3 Cg_exo -58.4 -26.5 77.87 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.637 2.225 . . . . 0.0 112.306 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 131' ' ' HIS . 1.1 pm0 -110.55 15.8 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.62 -40.98 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -48.74 -47.41 41.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.691 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.52 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.291 . . . . 0.0 111.768 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.625 HG21 ' HB1' ' A' ' 128' ' ' ALA . 81.3 mt -67.93 -52.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 3.0 p90 -64.37 -35.59 81.38 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 ptp180 -73.48 -29.44 62.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.051 0.453 . . . . 0.0 109.88 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.74 -35.33 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.866 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.607 HG23 HG22 ' A' ' 95' ' ' VAL . 50.0 pt -89.14 -15.09 9.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.835 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.687 0.28 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 56.93 91.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -98.02 16.01 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.84 163.38 21.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.36 -179.72 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.634 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 7.0 pt20 -57.33 162.57 4.2 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.3 -1.36 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.525 2.15 . . . . 0.0 113.054 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.634 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 98.5 t -121.56 134.07 66.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.603 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.477 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.7 p -148.73 141.33 24.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.193 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.28 -178.76 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.3 t -158.63 162.7 37.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.92 124.17 40.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.57 151.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.53 155.34 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.012 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.93 -28.7 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.37 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.02 -4.28 49.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.509 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.1 mm-40 -114.71 -15.86 11.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 11.5 ptm180 -74.41 -24.82 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -67.53 -23.68 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 22.0 t70 -112.0 -15.51 13.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.207 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 18.5 t80 -65.06 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.161 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 13.0 tp -70.92 -55.28 6.82 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 43.5 Cg_endo -68.89 -15.34 40.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.987 1.792 . . . . 0.0 112.162 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -87.73 -40.85 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -107.31 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.5 t80 -92.93 -39.7 11.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.522 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 135.86 135.55 3.46 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.217 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 22.9 Cg_endo -61.29 -20.84 69.84 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.264 1.976 . . . . 0.0 111.507 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.712 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.7 tmt_? -97.01 -40.1 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.778 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 26' ' ' PHE . 8.2 mp -66.11 -34.38 77.92 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.522 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -31.73 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.029 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.614 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 21.9 ptp -101.32 -36.47 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.712 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 3.3 mmp_? -69.49 -12.7 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -107.61 -43.63 1.32 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.232 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.778 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 38.5 tt0 -61.32 -43.56 98.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.6 -31.85 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.246 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD22 ' HG ' ' A' ' 104' ' ' LEU . 8.8 mp -77.83 -42.72 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.679 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 97' ' ' THR . 40.2 t -57.95 -41.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 111.012 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.79 -23.88 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -65.62 -42.06 91.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.498 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.3 m95 -73.79 -30.78 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.431 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.588 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 5.5 tpt -64.23 -52.83 56.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.606 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 39' ' ' TYR . 7.2 ptp180 -58.5 -14.25 7.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.508 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -86.16 -38.37 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.469 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 76' ' ' ILE . 18.9 mt -59.81 -31.72 69.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.601 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 45.8 t -121.71 154.24 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 110.3 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -92.5 -17.7 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -114.03 7.53 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.945 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.5 t80 -65.75 91.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.401 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -73.91 -39.69 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.899 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.48 -177.17 32.79 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.11 176.89 2.02 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.37 95.5 10.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 111.222 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.13 77.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 92.0 m-70 -52.55 140.81 21.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.506 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.1 m-30 -83.49 135.17 34.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.338 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' SER . 49.4 m-85 -123.01 142.93 50.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.492 . . . . 0.0 111.543 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.54 109.1 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.9 mt -84.25 147.46 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -75.17 -8.82 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.698 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HB2' HG11 ' A' ' 8' ' ' VAL . 7.8 t0 -91.9 -28.66 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.824 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.6 16.05 9.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.76 -51.85 3.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 75.5 m-85 65.21 120.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.2 p90 -136.78 172.74 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.778 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 17.8 mtm -127.22 144.2 51.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.572 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -134.12 124.61 17.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 31.8 Cg_exo -58.47 161.88 13.51 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.558 2.172 . . . . 0.0 111.912 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.2 t70 -103.33 87.05 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.51 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 64.7 mt -140.33 113.04 8.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.803 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.92 159.84 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.246 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.91 -149.83 23.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.664 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -122.77 129.72 52.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.092 0.472 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -128.79 131.07 47.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.896 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 8.7 pt-20 -64.98 112.76 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.8 mm -123.72 104.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.857 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.743 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 42.2 mt-10 -81.68 128.22 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.454 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 80' ' ' GLY . 37.7 t -97.15 95.45 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.87 19.61 0.51 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.381 . . . . 0.0 110.82 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' H ' HG12 ' A' ' 78' ' ' VAL . . . -92.34 -17.89 44.46 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.462 HD21 ' HA ' ' A' ' 140' ' ' ALA . 8.5 p30 -160.03 13.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.699 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.03 16.33 80.63 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.477 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -85.17 92.97 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.126 0.463 . . . . 0.0 111.493 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.743 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 54.1 ttp180 -84.02 111.53 19.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.29 140.39 6.95 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.88 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.4 mp0 -74.41 135.64 42.39 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 tp -152.54 150.21 29.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.3 p -72.24 159.59 33.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.42 -11.72 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.234 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.01 -59.17 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.5 -10.7 59.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.08 -36.49 10.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.386 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.89 -19.61 50.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.294 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -67.33 -38.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 141' ' ' ILE . 59.5 t -81.83 -24.07 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.16 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -66.04 -48.64 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.72 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -80.75 -37.47 30.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.789 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 141' ' ' ILE . 2.0 tp -49.23 -54.21 17.77 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.008 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.17 -34.02 71.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 97' ' ' THR . . . -58.35 -43.15 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.602 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.5 mt -58.84 -41.02 85.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.808 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.06 72.88 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.097 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 31.8 tt0 -76.32 -46.58 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 0.0 111.048 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 37' ' ' LEU . 88.9 mt -58.07 -45.38 87.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.676 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.523 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -58.74 -34.47 71.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.31 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.806 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 18.4 mm-40 -63.29 -37.08 85.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.222 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.8 pt -84.75 21.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.66 -168.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.6 109.07 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.8 m -156.18 -77.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.14 -41.96 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.52 -142.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.44 -1.82 1.17 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.66 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.99 -6.79 6.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.23 3.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.625 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.57 -17.43 62.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 110.099 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.8 mm -60.68 -25.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.426 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -47.24 44.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.994 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 11.0 mpt_? -55.53 -38.78 69.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.97 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.75 -51.14 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -60.99 -33.91 73.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.311 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 14.3 m-30 -64.9 -55.53 18.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.331 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.479 HD13 HD11 ' A' ' 59' ' ' LEU . 39.5 tp -64.88 -41.77 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.668 HH22 ' HB2' ' A' ' 138' ' ' TYR . 15.1 tpt180 -47.25 -35.49 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.361 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.93 -34.09 62.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.724 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 53.7 t80 -69.79 -26.56 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.754 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.11 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.724 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.01 55.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.968 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.74 -14.97 78.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -70.67 148.85 95.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.632 0.253 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.66 -9.01 24.9 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 111.396 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -119.31 21.58 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.116 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.57 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.27 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.742 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.77 77.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.88 -50.92 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.668 ' HB2' HH22 ' A' ' 125' ' ' ARG . 1.5 p90 -66.25 -36.32 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -72.37 -33.92 67.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.404 . . . . 0.0 110.232 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.62 -33.92 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.755 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.66 HG22 HG13 ' A' ' 95' ' ' VAL . 36.0 pt -91.24 -21.23 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.305 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.948 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -145.5 141.77 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 m -108.22 -19.59 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.03 120.19 12.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -100.56 159.6 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 24.5 pt20 -139.94 116.42 8.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.8 Cg_exo -67.36 3.79 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.736 2.291 . . . . 0.0 112.695 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.84 HG13 ' HB3' ' A' ' 60' ' ' SER . 15.1 t -126.15 139.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 60' ' ' SER . 19.2 p -150.7 145.98 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.024 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -92.29 -177.48 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -166.46 147.68 6.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.85 122.93 20.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 t -85.34 154.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.69 154.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.17 -26.74 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.309 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.99 -5.55 50.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.421 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -113.69 -20.96 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 10.4 ptm180 -70.58 -17.09 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.6 pp -71.43 -24.29 62.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.63 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.4 t70 -111.36 -8.17 14.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.527 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t80 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.488 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 31' ' ' MET . 2.5 mm? -69.09 -57.43 7.51 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -66.59 -5.99 14.29 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.026 1.818 . . . . 0.0 111.744 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.9 m -94.98 -48.43 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.377 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -100.22 -34.96 9.8 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -88.84 -40.46 13.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.55 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 130.92 143.43 5.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 11.6 Cg_endo -55.13 -22.03 30.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.434 2.089 . . . . 0.0 111.821 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HE ' ' HG3' ' A' ' 33' ' ' ARG . 20.1 tpt180 -94.19 -48.71 6.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.308 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 104' ' ' LEU . 7.2 mp -65.83 -23.34 66.66 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.57 -39.02 0.43 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 27.0 ptm -106.03 -41.34 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' HE ' ' A' ' 29' ' ' ARG . 16.1 mmm180 -65.46 -15.02 62.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.972 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.583 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -105.49 -44.24 1.47 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.402 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 15.0 pt-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 109.898 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.37 -31.88 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.28 -38.96 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.024 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.9 m -69.13 -37.07 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.376 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -79.45 -24.97 42.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.885 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.58 -41.29 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.374 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -66.74 -33.31 75.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.2 tpp -62.13 -49.18 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -65.4 -14.35 60.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.625 0.25 . . . . 0.0 111.154 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -82.14 -21.2 36.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.176 0.512 . . . . 0.0 110.181 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.2 mt -82.91 -25.02 32.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.581 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 44.8 t -135.2 125.32 26.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HG2' ' HG2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -69.89 -19.71 63.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.035 0.445 . . . . 0.0 110.749 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 18.8 mmm180 -113.04 44.68 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.942 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.9 t80 -110.91 96.94 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.402 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -68.26 -68.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.08 -173.06 45.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.652 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.7 3.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 28.1 m-85 -85.83 96.82 9.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.093 0.473 . . . . 0.0 111.249 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.41 77.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.519 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.67 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.4 m-70 -56.02 136.53 52.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.229 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.696 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.0 m-85 -86.79 134.52 33.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 61.4 m-85 -122.87 144.91 48.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 111.819 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.63 101.16 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.502 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 1.1 mm? -58.55 156.02 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.389 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.84 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.7 t -63.43 -22.24 66.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 110.233 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -103.28 -42.47 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.03 9.0 2.0 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.755 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 120' ' ' ARG . . . -57.38 -38.68 88.11 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 23.8 t80 61.6 112.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p90 -124.18 144.07 50.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.421 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.489 ' SD ' HG21 ' A' ' 38' ' ' VAL . 77.2 mtp -104.63 131.9 51.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.068 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.62 127.74 24.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 50.7 Cg_endo -69.27 162.7 40.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.6 2.2 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t70 -101.27 90.18 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 75.8 mt -150.43 144.53 25.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.152 0.501 . . . . 0.0 111.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 170.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.447 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.51 172.24 40.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.871 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 74' ' ' LEU . 33.0 mmt180 57.15 87.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 73' ' ' ARG . 39.9 mt -136.73 121.71 18.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.679 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.53 110.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.757 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.67 112.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.026 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 9.1 pt-20 -82.66 120.24 25.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.193 0.52 . . . . 0.0 110.048 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 48.1 t -90.03 93.19 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.328 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -64.24 -31.59 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.57 -32.95 0.89 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.237 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -150.71 15.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.78 17.61 71.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 30.3 t80 -77.97 88.52 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -78.14 106.06 9.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.879 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.51 133.97 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.141 -1.028 . . . . 0.0 113.19 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.7 tp -160.01 158.07 29.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 111.284 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.0 p -77.56 158.55 29.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -25.41 60.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.413 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.36 -58.7 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -13.22 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.229 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.54 -36.81 16.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 97' ' ' THR . . . -62.78 -18.25 59.16 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.574 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.74 -44.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.158 0.504 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 141' ' ' ILE . 88.8 t -73.5 -24.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.382 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -73.35 -46.6 48.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.751 0.31 . . . . 0.0 111.345 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 93' ' ' GLY . 4.9 t -74.44 -44.94 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.39 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.591 HD13 HD13 ' A' ' 141' ' ' ILE . 24.4 mt -52.04 -49.32 63.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.4 m-85 -59.26 -34.93 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.228 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 121' ' ' TYR . 89.7 mt -59.11 -43.65 91.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.95 -23.18 74.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.883 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -80.6 -46.22 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.636 0.255 . . . . 0.0 111.141 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 30' ' ' LEU . 68.9 mt -58.05 -29.43 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -74.63 -28.57 60.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.64 -8.77 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.521 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -79.03 -51.18 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.972 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.2 pt -70.98 125.21 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.323 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.45 70.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.38 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.75 165.22 2.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 t -114.99 -25.07 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.304 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.39 -51.77 66.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.028 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.571 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -83.07 -13.37 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.41 -7.71 55.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.13 -11.38 7.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -50.07 10.85 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.615 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.91 -14.69 36.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.301 0.572 . . . . 0.0 109.638 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.718 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.6 mm -70.12 -23.7 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.331 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -43.41 74.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.519 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.666 ' NE ' ' HA ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.8 -28.8 62.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.459 ' HA ' HD13 ' A' ' 101' ' ' LEU . 43.1 t80 -61.94 -48.46 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.701 0.286 . . . . 0.0 110.67 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -57.52 -33.08 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.717 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -71.42 -54.93 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.447 ' HB3' HD21 ' A' ' 98' ' ' LEU . 1.9 tt -53.58 -55.01 29.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.753 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -45.17 -36.09 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.923 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.18 -35.14 88.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.945 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 59' ' ' LEU . 41.6 t80 -65.06 -22.63 67.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.981 0.419 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.07 -7.3 59.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -97.51 25.16 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.244 0.545 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.423 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -146.77 -3.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.021 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -80.08 155.13 75.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.611 0.243 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.476 ' HB2' ' OE1' ' A' ' 133' ' ' GLU . 21.0 Cg_exo -64.79 -20.17 64.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.649 2.233 . . . . 0.0 111.735 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.476 ' OE1' ' HB2' ' A' ' 132' ' ' PRO . 2.3 mp0 -112.58 19.51 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.207 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -44.03 -48.63 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.506 ' HA ' ' CE2' ' A' ' 138' ' ' TYR . . . -48.21 -45.55 34.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.036 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.18 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.04 -52.49 48.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.506 ' CE2' ' HA ' ' A' ' 135' ' ' ALA . 2.8 p90 -65.12 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.93 -31.39 56.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.158 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.79 -32.11 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 98' ' ' LEU . 45.5 pt -97.54 -11.76 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.901 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.025 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.67 0.271 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 61.67 175.55 0.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.4 p -98.3 -23.29 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.7 -171.16 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.248 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 65.59 116.63 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.414 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.549 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 14.6 pt20 -156.62 103.82 1.98 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.984 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.21 7.49 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.899 2.4 . . . . 0.0 112.723 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 59' ' ' LEU . 4.4 t -98.35 129.82 48.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.566 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 p -145.5 139.36 26.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.87 -178.8 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 37.2 t -159.7 148.59 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.809 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.22 120.4 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.195 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 14' ' ' ALA . 47.4 t -80.1 156.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -58.95 159.72 6.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.21 -30.56 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.27 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -121.47 -19.6 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.687 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.2 ptm180 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.537 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.7 -21.95 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.7 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.51 -11.76 13.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.828 0.347 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -72.76 -44.07 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.65 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -56.69 -52.67 71.82 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 54.4 Cg_endo -69.96 -19.84 34.65 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.078 1.852 . . . . 0.0 111.77 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 m -76.68 -36.08 57.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.621 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.484 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -107.53 -40.62 5.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 133.88 141.87 4.6 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.0 -13.1 21.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.396 2.064 . . . . 0.0 112.211 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.6 mmm-85 -103.24 -45.89 4.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.2 mp -59.8 -31.8 70.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.328 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.62 -35.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 21.7 ptm -99.7 -34.0 10.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.486 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 79.5 mtp180 -68.02 -17.36 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.43 -41.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.679 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.3 tt0 -58.65 -42.88 89.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.52 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -74.84 -23.98 58.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.379 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.622 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -78.2 -34.33 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.342 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 34' ' ' GLY . 6.2 m -71.66 -39.77 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -79.44 -23.07 43.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.616 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -61.93 -41.15 97.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.607 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.3 m95 -78.39 -27.32 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.532 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.2 tpt -67.93 -46.07 72.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.063 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.526 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 10.6 ptm180 -67.26 -20.15 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 111.272 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.19 -52.68 9.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.029 0.443 . . . . 0.0 110.421 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 78' ' ' VAL . 32.1 mt -48.99 -20.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.362 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.648 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -137.41 120.07 16.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -65.63 -25.89 67.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.052 0.453 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.531 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 41.3 mmt180 -103.0 45.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -116.07 98.01 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.958 -179.391 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -76.45 -53.8 7.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.915 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.01 -178.53 44.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.418 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.95 171.34 7.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 111.357 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 19.8 m-85 -89.05 93.27 9.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.316 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.37 77.53 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -48.88 137.27 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.313 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 16.6 m-85 -81.76 127.11 32.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.589 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 41.5 m-85 -120.99 141.53 50.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.58 113.32 23.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.033 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' GLY . 11.3 mt -88.46 149.75 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.2 m -65.55 -26.67 67.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.617 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.49 5.83 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.247 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.34 4.87 87.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -90.01 35.67 3.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.25 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 40.4 p90 -36.14 143.33 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.49 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' HG21 ' A' ' 97' ' ' THR . 8.6 p90 -137.61 172.05 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.627 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.424 ' CE ' HG21 ' A' ' 38' ' ' VAL . 65.6 mtp -122.44 143.78 49.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.33 128.05 13.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.152 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 31.1 Cg_endo -64.48 165.26 20.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.582 2.188 . . . . 0.0 111.808 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 12.0 t70 -122.26 78.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.503 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 71.7 mt -118.05 -179.44 3.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.389 0.614 . . . . 0.0 111.315 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.99 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.01 138.17 13.7 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.635 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 53.72 99.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 70' ' ' LEU . 21.9 mt -121.11 130.54 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.1 tt0 -61.46 98.31 0.08 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.631 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -121.62 106.37 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.197 0.522 . . . . 0.0 110.816 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.4 pt-20 -90.79 133.75 34.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.335 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -105.96 103.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.535 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.98 -33.14 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.49 . . . . 0.0 109.881 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.26 -37.27 3.25 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 113.308 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.508 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -143.17 16.64 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.96 27.62 57.05 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 114.683 0.633 . . . . 0.0 114.683 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 63.1 t80 -88.45 98.27 11.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.021 0.91 . . . . 0.0 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 5.6 mpt_? -86.14 119.12 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.9 146.15 10.57 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.822 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 38.9 mt-10 -86.23 106.01 17.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.72 0.295 . . . . 0.0 110.491 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -117.74 147.91 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.7 p -65.31 159.04 24.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.99 -14.73 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.425 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -82.84 -57.39 3.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -72.83 -14.85 61.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.65 -35.14 14.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.198 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.714 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -58.55 -20.05 44.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.935 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -67.14 -39.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.275 0.559 . . . . 0.0 109.699 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 141' ' ' ILE . 56.0 t -76.79 -29.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.341 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.587 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.52 -46.82 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.608 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -74.29 -42.41 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.565 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 141' ' ' ILE . 31.5 mt -53.6 -51.6 62.52 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.61 -28.86 64.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.738 0.304 . . . . 0.0 111.346 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.39 -36.82 77.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.648 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 93.6 mt -62.68 -44.27 96.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.044 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.23 -34.48 90.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.97 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.31 -42.28 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.09 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.33 -44.16 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -62.28 -35.68 79.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.439 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.72 -15.89 40.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.792 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.81 -39.26 83.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.539 HD11 ' HA ' ' A' ' 114' ' ' ALA . 23.1 pt -84.7 13.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 64.52 154.88 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.13 97.79 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.7 p -133.51 -81.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -140.11 -52.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.65 -7.06 29.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.459 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -87.62 167.22 14.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.15 -1.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 114' ' ' ALA . . . -81.25 -51.33 8.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.63 ' C ' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -19.31 65.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.409 ' N ' HD22 ' A' ' 117' ' ' LEU . 16.0 mm -58.52 -21.3 17.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.609 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -43.75 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.768 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 6.5 mpt_? -61.93 -37.93 86.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.418 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 29.6 t80 -54.86 -52.86 61.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -54.59 -33.56 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.593 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 25.3 m-85 -67.46 -57.7 6.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 98' ' ' LEU . 55.4 tp -56.69 -52.96 62.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -47.82 -29.33 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.551 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.86 -27.63 45.33 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.549 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 61.4 t80 -73.38 -36.38 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -64.66 -12.71 49.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.394 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.74 -19.16 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.98 -5.41 64.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.319 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -79.28 150.13 73.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.517 0.199 . . . . 0.0 110.911 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.563 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 45.1 Cg_exo -56.74 -35.87 98.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.449 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.563 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 8.3 mp0 -98.54 20.02 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.84 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.543 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.66 76.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.629 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 91' ' ' ALA . 97.1 mt -64.96 -52.14 57.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.4 -35.94 81.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.483 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.85 -30.89 62.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 110.027 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.71 -34.4 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.615 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.619 HD13 HD13 ' A' ' 98' ' ' LEU . 45.7 pt -94.78 -16.22 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.913 -179.783 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -73.71 -59.75 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.6 p -119.69 2.57 11.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.783 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -82.69 1.68 37.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.108 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.31 147.4 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' OE1' ' HB ' ' A' ' 8' ' ' VAL . 4.0 pt20 -122.0 147.39 48.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.7 Cg_exo -67.78 4.92 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.932 2.421 . . . . 0.0 112.819 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' HB ' ' OE1' ' A' ' 6' ' ' GLN . 58.9 t -99.49 128.69 50.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.268 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.41 140.93 25.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -79.65 177.06 9.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.3 t -155.49 155.64 33.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -89.32 117.94 28.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 14' ' ' ALA . 17.4 t -79.0 157.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -57.22 159.72 4.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.078 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.54 -30.86 61.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.97 0.11 55.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.381 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 24.0 mm-40 -119.24 -18.81 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 111.077 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -67.12 -28.24 67.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.304 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -77.37 -21.72 52.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.712 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -96.12 -15.46 22.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.069 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' O ' ' HB ' ' A' ' 24' ' ' THR . 14.0 t80 -65.79 -38.07 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -60.4 -56.84 31.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 32.2 Cg_endo -64.81 -18.86 63.71 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.788 1.659 . . . . 0.0 111.014 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 3.2 m -64.64 -52.61 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.215 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.63 -68.52 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.278 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 m-85 -46.44 -49.41 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.971 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.534 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 117.38 154.7 9.99 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.214 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.36 -8.43 12.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.339 2.026 . . . . 0.0 111.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HE ' ' HD2' ' A' ' 33' ' ' ARG . 7.9 tpt180 -100.11 -48.17 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 23.0 mt -62.63 -35.55 79.96 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 2.0 ptm -38.85 -29.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 25.8 ptm -103.53 -41.55 5.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.212 -0.305 . . . . 0.0 111.725 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 17.4 ptm180 -81.86 -0.7 44.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.466 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -110.31 -49.76 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.032 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' MET . 4.1 mm-40 -63.2 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.32 61.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.892 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -79.09 -35.19 42.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.701 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 ' SD ' ' A' ' 66' ' ' MET . 2.5 m -72.49 -39.42 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.102 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.11 52.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.481 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.1 -38.89 87.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 98.6 m95 -81.66 -31.6 32.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.439 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' A' ' 96' ' ' ALA . 13.0 tpt -68.74 -34.42 75.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -79.66 -16.64 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.695 0.283 . . . . 0.0 111.188 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.3 mtt180 -79.47 -54.38 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 78' ' ' VAL . 48.3 mt -45.24 -23.16 0.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.302 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.8 t -121.68 137.99 54.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.888 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -80.24 -26.6 38.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 0.0 110.131 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 90.3 mtt180 -112.49 54.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.81 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.8 t80 -117.72 102.75 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.958 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.49 -29.28 18.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.321 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' O ' HD21 ' A' ' 70' ' ' LEU . . . 155.44 178.51 29.74 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.58 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -170.71 172.47 5.76 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 14.4 m-85 -88.01 89.98 8.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.579 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -69.32 79.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.43 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -49.6 130.19 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.899 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.704 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.7 m-85 -81.88 129.97 34.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.439 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 49.2 m-85 -117.83 140.2 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.881 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -106.6 103.89 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.891 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.0 mt -80.89 150.17 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.481 ' OG ' HG13 ' A' ' 8' ' ' VAL . 87.1 p -65.7 -26.46 67.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' OD2' HG11 ' A' ' 8' ' ' VAL . 75.0 m-20 -75.8 -23.79 55.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 8.6 51.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.225 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.35 -47.49 12.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.512 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 8.0 m-85 64.92 130.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 124' ' ' LEU . 3.9 p90 -138.12 157.5 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.37 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.516 ' SD ' HG21 ' A' ' 38' ' ' VAL . 37.6 mtp -110.24 143.9 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.66 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.84 112.78 9.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.209 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 50.7 Cg_exo -53.82 165.78 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.648 2.232 . . . . 0.0 112.174 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 14.3 t70 -130.59 79.12 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.107 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 51' ' ' GLY . 77.9 mt -105.76 177.54 4.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.05 -174.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.03 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.83 135.42 13.22 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.011 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 48.43 100.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 0.0 111.905 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -126.15 135.31 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.7 pt-20 -67.62 112.32 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.9 mm -124.96 106.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.699 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 43.3 mt-10 -90.01 128.95 36.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.729 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.776 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -104.37 104.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.729 -179.348 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -62.64 -32.61 73.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.44 -36.03 2.11 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.283 -0.871 . . . . 0.0 113.012 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.561 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.2 p30 -142.1 16.15 2.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.727 0.299 . . . . 0.0 110.871 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.89 56.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.243 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 77.8 t80 -91.73 103.2 15.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.808 0.804 . . . . 0.0 111.394 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.2 ttt180 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.049 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.58 142.92 6.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.322 -0.942 . . . . 0.0 113.116 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.9 mt-10 -78.34 126.02 30.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -132.75 165.86 23.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -78.8 148.41 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -22.85 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.4 -57.18 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -66.14 -13.57 60.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.42 -33.01 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.113 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.91 -18.5 57.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.031 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.2 mm -68.12 -40.26 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 109.79 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 141' ' ' ILE . 48.6 t -80.04 -24.49 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.359 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -71.74 -48.72 45.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.483 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.4 t -74.45 -40.72 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.33 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 124' ' ' LEU . 13.9 mt -52.82 -48.97 66.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.298 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 10.8 m-85 -62.81 -35.4 79.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.071 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -57.51 -44.58 85.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.622 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 121' ' ' TYR . 78.0 mt -57.43 -40.01 77.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.44 -33.48 86.6 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.669 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -74.62 -47.24 33.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.804 ' HG ' HD22 ' A' ' 37' ' ' LEU . 38.3 mt -55.9 -40.13 72.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -67.83 -31.99 72.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.874 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.67 -21.95 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.386 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' HD23 ' A' ' 104' ' ' LEU . 41.1 mt-10 -69.21 -50.67 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.137 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.503 HD12 ' HB1' ' A' ' 113' ' ' ALA . 26.9 pt -74.83 159.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.67 137.58 19.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.455 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 5.0 p-10 -96.44 17.2 16.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -84.96 -53.66 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.262 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.69 -42.38 3.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.989 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 108' ' ' ILE . . . -93.25 -149.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . 65.07 -1.52 0.86 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.455 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 113' ' ' ALA . 31.3 t70 -127.5 -7.84 5.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.675 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.03 -54.11 4.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.771 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.97 -15.24 58.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.053 0.454 . . . . 0.0 110.342 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 117' ' ' LEU . 21.1 mm -67.84 -16.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.34 0.591 . . . . 0.0 110.226 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.05 -44.86 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -70.82 -30.69 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.214 -179.346 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.461 ' HA ' HD13 ' A' ' 101' ' ' LEU . 27.6 t80 -59.99 -46.22 90.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -59.53 -39.36 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.763 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 23.5 m-85 -60.86 -53.57 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 65' ' ' TYR . 1.2 tt -56.64 -51.99 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -48.41 -28.86 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.09 -26.81 35.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.12 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -71.78 -32.85 68.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.942 0.371 . . . . 0.0 111.012 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -66.24 -12.0 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.61 -25.38 38.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.32 -4.98 90.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 111.89 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -81.76 143.06 49.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.85 -34.21 91.62 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.731 2.287 . . . . 0.0 112.474 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.2 pm0 -96.74 17.03 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.61 -38.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.52 -45.13 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 111.474 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.35 68.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.571 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.9 mt -64.49 -53.79 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -64.34 -35.88 82.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.551 0.215 . . . . 0.0 111.481 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -72.76 -30.28 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.53 -35.17 80.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.576 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.755 HG22 HG13 ' A' ' 95' ' ' VAL . 44.2 pt -92.86 -13.64 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -102.61 137.4 40.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 t -120.53 -1.33 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 160.9 31.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -149.82 167.83 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.45 ' NE2' ' HA3' ' A' ' 130' ' ' GLY . 1.9 pp0? -146.28 99.04 4.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.466 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.14 4.58 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.0 2.467 . . . . 0.0 113.488 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 127' ' ' PHE . 3.3 p -89.35 126.9 42.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.196 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.432 ' C ' HD23 ' A' ' 59' ' ' LEU . 68.1 p -146.92 139.38 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.088 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -88.42 -172.14 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 38.2 t -160.02 146.06 15.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.21 117.16 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.81 154.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 167.25 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 11.7 pt-20 -76.38 -28.3 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.13 -1.86 47.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 24.4 mm-40 -117.6 -19.0 9.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.786 ' NH2' ' HA ' ' A' ' 55' ' ' HIS . 13.4 ptm180 -67.77 -26.76 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.382 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.4 pt? -85.43 -21.66 28.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 11.7 t70 -97.39 -14.52 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HE2' ' A' ' 56' ' ' TYR . 4.8 t80 -72.86 -30.95 64.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.5 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.853 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 0.9 OUTLIER -56.52 -57.36 23.9 Favored Pre-proline 0 N--CA 1.456 -0.157 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -67.88 -15.66 44.23 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.176 1.917 . . . . 0.0 111.406 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 4.6 m -67.71 -38.64 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -126.96 -69.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.225 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.15 -37.33 0.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.984 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 112.53 149.33 10.78 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.63 -11.23 25.29 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.391 2.061 . . . . 0.0 112.016 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.89 -38.38 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.675 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.1 tp -71.64 -32.61 68.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.853 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.8 ptm -34.7 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 ptp -108.52 -35.74 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 61.4 mtt180 -74.69 -3.73 33.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.065 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -119.41 -44.54 0.47 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.184 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.8 tt0 -60.45 -31.54 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.594 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -21.33 51.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.74 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -82.11 -36.73 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.573 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.33 -37.59 71.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -25.27 43.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.66 -35.47 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.552 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.8 m95 -81.07 -31.74 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 tpt -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.549 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -21.49 40.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.356 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.5 mtt180 -75.29 -56.72 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.835 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HA ' ' A' ' 78' ' ' VAL . 36.5 mt -47.11 -19.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.327 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.4 t -117.91 141.99 47.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.929 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.38 -29.15 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.228 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -112.58 54.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -116.87 97.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.919 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -86.08 -40.21 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.0 166.01 33.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -152.1 152.53 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 0.0 111.219 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 91.07 3.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.944 0.402 . . . . 0.0 111.838 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -63.84 139.19 58.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.385 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.786 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.8 m-70 -118.96 120.97 38.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.635 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -74.8 127.19 32.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.958 0.409 . . . . 0.0 110.99 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.525 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.9 m-85 -121.67 140.12 52.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.213 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.698 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.33 114.39 27.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 63' ' ' GLY . 13.9 mt -89.11 152.45 21.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 -23.43 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.364 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.71 -5.15 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.93 68.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.261 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -93.58 34.3 4.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.405 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.698 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 18.8 m-85 -30.48 134.37 0.06 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.603 0.361 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.632 ' HB2' HG21 ' A' ' 97' ' ' THR . 11.3 p90 -138.29 -178.13 5.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.567 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 56.1 mtp -136.84 148.76 47.31 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.748 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.66 133.88 11.32 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.545 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 45.5 Cg_endo -67.81 169.22 16.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.684 2.256 . . . . 0.0 112.156 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.578 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.2 t70 -114.68 92.12 3.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -133.94 112.0 10.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.07 109.37 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -157.76 23.55 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.834 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -110.95 116.88 31.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.012 0.434 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -114.71 124.69 52.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.127 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.94 106.29 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -116.31 111.34 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.3 pt-20 -90.21 124.3 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.623 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.753 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.8 t -103.54 102.77 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.419 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -75.84 -36.7 59.54 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.577 0.227 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.38 -24.1 0.34 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.053 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.479 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -144.4 8.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.24 12.34 57.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.878 -0.601 . . . . 0.0 113.218 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -81.47 95.86 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.983 0.391 . . . . 0.0 111.579 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 112.79 22.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.79 135.35 3.57 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.75 -1.214 . . . . 0.0 113.847 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.74 150.4 49.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.094 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 15.5 tp -163.16 144.99 9.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.919 0.39 . . . . 0.0 111.12 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -66.5 159.37 27.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -66.99 -12.04 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.214 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' O ' HD11 ' A' ' 94' ' ' ILE . 12.9 t70 -89.22 -26.37 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.731 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -105.51 -13.07 15.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.13 -38.9 9.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.654 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.622 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -56.91 -27.82 57.0 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.239 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.0 mm -62.51 -35.59 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 109.846 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 141' ' ' ILE . 47.6 t -81.58 -28.25 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.25 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.55 -47.29 70.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.414 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.632 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.1 t -72.53 -42.35 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.44 -48.94 68.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.022 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.31 -30.71 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -68.33 -41.23 81.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.37 -39.29 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.935 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.92 -21.94 76.9 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.018 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.591 ' CD ' HD11 ' A' ' 37' ' ' LEU . 17.0 tt0 -83.91 -49.48 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -39.99 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.31 -32.7 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.69 -8.35 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.293 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.67 -52.0 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.6 pt -67.02 -32.49 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 54.39 86.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -146.22 -173.34 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -119.14 -6.83 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.46 -64.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.103 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.544 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -69.28 -34.34 74.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.516 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.74 -9.61 38.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.356 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.93 -7.14 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.789 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.5 -49.05 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -70.75 -17.1 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.308 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.5 mm -63.44 -34.56 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -43.24 63.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.839 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 117' ' ' LEU . 2.0 mpt_? -54.93 -37.04 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.017 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -67.12 -53.47 30.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -54.39 -36.66 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.424 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -75.04 -54.06 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.669 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.73 -56.3 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.792 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -45.71 -39.36 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.48 84.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.992 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.429 ' HA ' HG13 ' A' ' 8' ' ' VAL . 24.5 t80 -65.27 -35.86 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -73.66 -2.93 25.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.589 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.74 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.45 ' HA3' ' NE2' ' A' ' 6' ' ' GLN . . . -95.18 4.07 67.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.759 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -81.92 150.61 65.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 -31.08 94.9 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.583 2.189 . . . . 0.0 112.155 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -100.82 17.85 21.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.06 2.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -55.27 -44.85 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.587 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.42 69.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.745 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.532 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -67.18 -52.15 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.4 p90 -63.69 -36.06 82.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.519 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -72.99 -29.23 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -70.54 -33.43 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.708 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.573 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -94.82 -7.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -97.79 152.52 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.3 m -96.99 -18.91 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -112.51 138.44 49.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -143.04 158.2 43.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.469 HE22 ' HA ' ' A' ' 127' ' ' PHE . 13.4 pt20 -136.27 161.73 60.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 6' ' ' GLN . 86.2 Cg_exo -45.61 -74.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.753 2.302 . . . . 0.0 113.154 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 61' ' ' ASP . 8.3 t -66.81 121.25 15.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.314 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.532 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 74.3 p -138.44 138.78 38.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.822 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 170.47 13.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -156.89 158.21 36.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.49 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 55' ' ' HIS . 1.5 mt -90.18 123.46 34.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.119 0.485 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.25 152.64 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.198 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 153.43 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.85 -31.35 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.277 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.31 -1.79 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -121.16 -15.27 8.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 111.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -69.86 -25.24 63.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.556 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.5 pt? -71.35 -21.68 62.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.619 0.247 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.7 t70 -107.8 -11.23 15.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.64 -42.36 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.682 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -57.32 -52.46 74.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.729 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 58.6 Cg_endo -71.9 -17.1 29.1 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.337 2.025 . . . . 0.0 112.482 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.483 HG22 ' HD1' ' A' ' 25' ' ' TYR . 3.0 m -82.61 -35.46 27.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.128 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HD1' HG22 ' A' ' 24' ' ' THR . 6.6 m-85 -101.66 -22.3 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -108.69 -41.17 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 0.0 110.577 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.38 140.28 4.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 20.3 Cg_endo -60.24 -17.29 45.51 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.465 2.11 . . . . 0.0 112.419 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -102.5 -36.39 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.129 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.0 mp -70.46 -35.06 73.09 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.589 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppp? -34.49 -41.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 mtm -86.95 -47.02 9.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.883 0.373 . . . . 0.0 111.581 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' HD21 ' A' ' 104' ' ' LEU . 25.6 mmm180 -70.84 -5.7 32.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -109.53 -46.79 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 38' ' ' VAL . 11.7 pt-20 -60.73 -35.97 77.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 0.0 109.847 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.5 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -79.86 -35.97 37.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.785 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 35' ' ' GLU . 3.5 m -67.77 -42.33 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.59 -23.38 59.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.457 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.27 94.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.4 m95 -80.27 -34.14 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.486 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -64.45 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.94 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -82.79 -12.26 57.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.692 0.282 . . . . 0.0 111.56 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -86.52 -52.84 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 15.4 mt -46.32 -24.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.564 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.2 t -127.94 130.07 47.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.788 0.328 . . . . 0.0 110.621 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.702 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -71.23 -26.08 62.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.702 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 46.4 mtp180 -109.78 49.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -115.28 95.88 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.975 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.44 -46.8 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.68 -171.01 35.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.75 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -177.67 179.56 0.9 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.013 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -87.4 95.58 10.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.038 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 78.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.343 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB3' HD21 ' A' ' 12' ' ' LEU . 85.9 m-70 -50.93 133.41 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.132 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 14.9 m-30 -83.5 124.88 31.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.944 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.5 m-85 -115.2 142.12 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.685 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 104.24 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 12.3 mt -74.96 145.84 42.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.9 t -64.76 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' HB2' HG22 ' A' ' 8' ' ' VAL . 8.7 m-20 -150.62 10.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.678 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -106.64 11.55 42.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' PHE . . . 79.44 -81.92 1.42 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.632 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 13.0 p90 177.97 142.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.62 ' HB2' HD11 ' A' ' 124' ' ' LEU . 1.4 p90 -135.94 150.44 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 22' ' ' LEU . 22.6 mtm -112.94 144.87 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.963 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.06 136.51 15.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 32.8 Cg_endo -64.12 162.84 28.03 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.627 2.218 . . . . 0.0 112.289 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 20.0 t70 -111.11 85.94 2.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.184 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 25.7 mt -144.02 156.01 44.23 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.04 164.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.669 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.18 173.47 44.57 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.869 -1.158 . . . . 0.0 112.782 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 7.5 mpt_? 59.22 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.089 0.471 . . . . 0.0 110.581 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 73' ' ' ARG . 70.9 mt -133.16 130.53 39.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.587 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.7 mt-10 -56.56 108.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.5 mm -128.57 106.25 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.325 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 10.7 pt-20 -84.79 103.79 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.319 0.58 . . . . 0.0 109.866 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 140' ' ' ALA . 16.8 t -81.16 92.91 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.18 -34.39 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.74 -26.7 0.29 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.112 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -151.99 13.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.61 17.89 69.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.385 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.564 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 33.4 t80 -80.07 90.29 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.056 0.428 . . . . 0.0 111.397 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -78.85 106.4 10.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.84 144.31 10.59 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.531 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 42.8 mt-10 -81.36 109.08 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 13.6 tp -117.02 155.66 28.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.19 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -76.87 156.76 31.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -24.31 57.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.08 -57.22 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -70.19 -12.72 61.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.33 -38.14 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.95 -19.21 43.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.345 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.564 HG21 ' HB2' ' A' ' 128' ' ' ALA . 2.6 mm -70.58 -43.66 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.551 HG13 HG22 ' A' ' 141' ' ' ILE . 43.2 t -74.66 -21.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -76.25 -48.92 18.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.349 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.2 t -71.25 -40.33 71.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 124' ' ' LEU . 24.2 mt -58.54 -50.41 73.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.357 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 2.8 m-85 -58.06 -35.34 71.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.743 0.306 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -66.68 -39.65 88.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 97' ' ' THR . 88.7 mt -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.77 82.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.195 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -76.3 -47.94 21.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.795 0.297 . . . . 0.0 111.164 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.819 ' HG ' HD22 ' A' ' 37' ' ' LEU . 93.5 mt -61.0 -45.88 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -57.98 -35.06 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.41 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.28 -9.12 34.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.743 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -78.79 -36.94 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 108' ' ' ILE . 23.2 pt -77.59 111.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.5 91.13 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.461 ' OD2' ' HB ' ' A' ' 108' ' ' ILE . 3.1 p30 -175.46 -171.14 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.716 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.8 t -141.1 10.81 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.88 -55.69 2.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.12 -1.51 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -86.04 -7.62 58.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.12 -11.05 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.5 -48.36 17.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -75.22 -17.41 60.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.378 . . . . 0.0 110.508 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.746 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.3 mm -55.63 -29.04 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.197 0.522 . . . . 0.0 110.207 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -46.57 79.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.174 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 6.3 mmt180 -51.8 -39.18 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.085 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.429 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.5 t80 -71.66 -54.53 10.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.067 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -53.06 -29.66 31.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.678 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 24.2 m-85 -89.05 -51.71 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.674 0.273 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 65' ' ' TYR . 4.9 tt -50.07 -57.98 6.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -47.47 -38.03 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.724 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.0 80.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.7 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.532 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 81.0 t80 -64.63 -38.41 90.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -65.16 -11.46 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.599 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.56 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.21 2.01 80.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.407 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 3.0 m-70 -75.09 149.5 85.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.626 0.251 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.13 -10.21 26.38 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.736 2.291 . . . . 0.0 112.442 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -129.77 20.1 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.64 1.53 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.563 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.48 -43.91 45.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -76.35 -39.85 52.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.836 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.547 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.6 mt -62.71 -55.8 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.7 p90 -63.43 -34.36 77.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.565 0.222 . . . . 0.0 111.515 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 12.7 ptm180 -74.72 -28.55 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.505 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.94 -35.29 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.592 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.551 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -91.06 -10.4 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.997 179.732 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.9 114.97 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -141.1 17.65 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -126.53 -156.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.969 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 68.85 144.9 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -125.97 133.09 24.59 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.146 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.41 -18.1 43.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.506 2.137 . . . . 0.0 112.086 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' OG ' ' A' ' 60' ' ' SER . 50.2 t -107.14 136.27 42.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.69 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.1 p -146.53 140.84 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -88.07 179.68 6.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.2 t -151.89 152.19 32.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 13' ' ' VAL . 2.8 tm? -86.33 133.76 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.728 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' N ' HD13 ' A' ' 12' ' ' LEU . 60.9 t -101.89 144.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.344 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -48.01 148.25 1.78 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.4 pt-20 -70.53 -22.37 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.73 2.32 38.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.72 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 18.2 mm-40 -119.14 -20.61 7.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.091 0.472 . . . . 0.0 110.499 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.682 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 28.1 ptt180 -72.66 -17.47 61.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.161 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.47 -22.6 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.508 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.619 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.9 t70 -120.13 -18.4 8.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.75 -38.42 90.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.679 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.78 -53.46 43.18 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.064 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HB2' ' HA ' ' A' ' 28' ' ' PRO . 58.5 Cg_endo -71.18 -14.96 31.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.388 2.059 . . . . 0.0 112.442 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -80.39 -32.3 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.701 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -107.42 -27.25 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.617 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.4 t80 -97.57 -42.68 7.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.581 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 140.33 136.73 3.37 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.495 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 15.6 Cg_endo -57.23 -19.12 32.89 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.527 2.151 . . . . 0.0 111.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -97.95 -39.86 8.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 179.681 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.5 mm? -69.36 -35.57 75.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.86 -39.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.8 ptm -101.73 -36.72 8.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.853 0.359 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 30.1 mmm180 -71.8 -12.29 61.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.315 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -104.15 -44.97 1.53 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.081 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.7 pt-20 -60.01 -36.09 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 0.0 110.074 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.56 -19.15 60.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.883 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 2.2 mt -84.41 -41.07 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.806 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 35' ' ' GLU . 4.4 m -61.81 -36.62 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.406 . . . . 0.0 110.369 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.89 -22.99 36.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.256 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.03 93.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.835 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 92.0 m95 -78.72 -32.91 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.9 tpt -63.62 -43.84 95.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 15.5 ptm180 -68.74 -18.44 64.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -81.6 -19.81 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 110.666 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 76' ' ' ILE . 65.9 mt -80.91 -25.96 37.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.377 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.946 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -123.28 152.59 41.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.297 . . . . 0.0 110.3 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.48 -18.95 25.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.544 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -117.92 12.64 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 111.503 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.946 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.1 t80 -67.47 93.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.621 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.96 -25.12 60.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.599 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.79 130.98 6.25 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.76 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.37 -164.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -93.07 102.59 14.92 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.76 79.3 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 56.9 m-70 -50.35 134.6 23.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 17.9 m-30 -78.16 133.0 37.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.236 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.2 m-85 -121.36 145.66 47.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.9 95.36 5.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.678 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.8 mt -70.17 151.34 45.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.483 ' OG ' HG13 ' A' ' 8' ' ' VAL . 79.2 p -67.51 -29.16 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.208 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . 81.8 m-20 -72.31 -19.93 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.01 20.64 30.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.18 -42.11 5.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.38 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.464 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.7 m-85 64.74 126.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.554 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.9 p90 -136.42 161.32 36.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.239 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.486 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 66.6 mtp -114.22 134.09 55.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -127.16 130.65 23.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.25 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 27.9 Cg_endo -62.86 155.75 58.1 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.455 2.103 . . . . 0.0 111.712 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.6 t70 -101.77 87.71 3.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.179 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HB2' HD11 ' A' ' 74' ' ' LEU . 93.3 mt -143.55 118.95 10.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.998 0.428 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.95 113.76 27.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.11 -159.38 27.03 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.623 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -100.27 104.1 15.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 110.538 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 70' ' ' LEU . 52.8 mt -91.99 98.96 11.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 41.0 tt0 -65.98 93.52 0.2 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -97.48 154.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.115 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 84' ' ' ARG . 8.5 pt-20 -130.17 91.39 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.75 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.98 98.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.963 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.77 -37.13 76.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.98 -24.52 0.53 Allowed Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.725 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.53 ' OD1' ' HB3' ' A' ' 83' ' ' PHE . 29.1 p30 -142.75 5.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.992 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.29 18.79 65.64 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.731 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.53 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 13.6 t80 -86.78 100.08 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.511 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 78.9 ttt180 -82.87 106.09 14.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.12 137.65 8.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.622 -1.275 . . . . 0.0 114.199 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 33.9 mt-10 -89.72 118.85 29.63 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -138.7 167.53 21.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 0.0 111.453 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -75.55 -168.89 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.151 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -90.78 -21.46 21.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 -57.95 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.48 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.596 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.37 -33.66 10.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.77 -22.75 62.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.385 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -64.91 -40.99 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.517 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.683 HG13 HG22 ' A' ' 141' ' ' ILE . 44.3 t -77.39 -28.49 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.787 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.561 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.04 -48.81 61.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -77.21 -40.2 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.2 tp -50.5 -55.68 14.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG22 ' A' ' 141' ' ' ILE . 22.7 m-85 -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.651 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.05 -42.98 93.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.306 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.81 -26.36 71.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.857 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.421 ' NE2' HD21 ' A' ' 37' ' ' LEU . 53.4 tt0 -80.17 -45.29 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.67 0.271 . . . . 0.0 111.041 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 37' ' ' LEU . 34.8 mt -59.14 -45.98 89.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -57.28 -35.08 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.441 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.17 37.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.684 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.63 -34.38 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.347 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 114' ' ' ALA . 43.7 pt -66.52 -12.31 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.413 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 69.47 -71.1 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.672 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -43.97 137.23 3.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.896 0.379 . . . . 0.0 111.304 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.2 p -90.27 9.79 27.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.313 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.23 -58.19 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -104.05 8.17 36.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.223 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -69.78 -4.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -121.26 -5.54 9.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.228 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.53 -54.69 4.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.606 0.241 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.19 -16.47 60.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 0.0 110.026 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.8 mm -63.07 -29.76 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -45.42 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.884 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -57.72 -39.49 77.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 22.3 t80 -57.68 -50.41 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.589 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -63.22 -31.42 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 61' ' ' ASP . 19.9 m-85 -66.01 -56.85 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.714 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 65' ' ' TYR . 34.5 tp -61.54 -41.6 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.555 HH11 HD21 ' A' ' 98' ' ' LEU . 15.8 tpt180 -42.08 -34.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 129' ' ' ALA . . . -52.49 -43.14 58.35 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.393 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.84 -40.81 80.95 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HA ' ' CD2' ' A' ' 131' ' ' HIS . . . -83.77 21.62 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.843 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 126' ' ' GLY . . . -120.87 11.89 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.42 14.28 0.12 Allowed Glycine 0 CA--C 1.516 0.114 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.587 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.613 ' CD2' ' HA ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -61.8 140.05 95.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.75 -15.94 21.16 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.548 2.165 . . . . 0.0 110.156 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -111.53 17.57 19.91 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.326 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.556 ' HB2' ' ND1' ' A' ' 131' ' ' HIS . . . -32.56 -47.24 0.15 Allowed 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.441 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -45.12 -51.1 10.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.938 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.757 ' HA ' ' HE ' ' A' ' 139' ' ' ARG . . . -73.07 -41.16 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.93 -50.19 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 134' ' ' ALA . 1.9 p90 -64.83 -41.14 95.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.757 ' HE ' ' HA ' ' A' ' 136' ' ' ALA . 29.1 ptt180 -71.48 -25.83 62.44 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.832 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -77.21 -35.7 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.944 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.683 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -85.98 -17.75 9.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.365 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 CA--C 1.518 -0.295 0 CA-C-O 121.314 0.464 . . . . 0.0 112.787 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 t -84.02 130.55 35.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.151 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 75.6 p -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.29 168.31 19.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -148.59 160.78 42.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.27 117.63 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.018 0.437 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 148.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.69 152.39 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.384 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 11.9 pt-20 -74.83 -29.54 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.11 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.71 -3.73 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.93 -17.0 9.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 56' ' ' TYR . 17.3 ptm180 -70.69 -20.21 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -25.55 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.624 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 14.4 t70 -113.54 -15.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.397 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.68 -41.46 96.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.598 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -62.76 -54.25 49.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.072 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 56.1 Cg_endo -70.05 -12.84 33.11 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.231 1.954 . . . . 0.0 112.296 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 m -86.87 -33.45 19.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -98.26 -27.07 14.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.467 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.605 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -104.37 -44.34 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.395 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 142.89 140.34 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.162 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -58.42 -18.24 37.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HE ' ' NE ' ' A' ' 33' ' ' ARG . 7.7 tpt180 -101.27 -35.45 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.247 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 26' ' ' PHE . 87.8 mt -72.38 -28.69 63.17 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.615 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.28 -36.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.655 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.2 ptp -97.62 -36.76 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' NE ' ' HE ' ' A' ' 29' ' ' ARG . 98.9 mtt180 -65.27 -21.51 66.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -102.42 -41.76 2.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.996 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.655 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -57.75 -40.03 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.334 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.31 -23.95 54.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.677 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.851 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.71 -35.39 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.6 m -70.94 -41.47 77.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -73.45 -26.15 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.593 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.26 96.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.735 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.9 m95 -76.22 -32.62 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.585 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 6.5 tpt -60.57 -52.43 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.585 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -62.36 -9.17 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.461 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.37 -34.09 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 78' ' ' VAL . 19.1 mt -67.72 -29.95 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.8 t -124.09 133.88 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.697 0.284 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.78 -25.73 56.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -112.64 49.79 0.91 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.783 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -112.81 94.4 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.296 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.588 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -68.84 -58.78 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.08 -172.99 42.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -177.58 179.89 0.88 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.97 100.04 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.95 79.29 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.569 ' HA ' HH22 ' A' ' 18' ' ' ARG . 90.5 m-70 -49.55 145.02 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 11.4 m-30 -89.06 128.77 35.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 49.6 m-85 -117.96 141.86 47.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 131.72 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.52 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 124' ' ' LEU . 16.6 mt -110.55 141.8 43.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.056 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.4 m -78.2 -12.73 60.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.855 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 1.4 p30 -69.19 -21.38 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.1 4.23 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.338 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.29 5.79 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 28.1 p90 -177.27 156.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.629 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -139.15 158.33 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.263 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.482 ' CE ' HG21 ' A' ' 38' ' ' VAL . 14.7 mtm -118.16 141.46 48.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.42 126.93 19.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.6 Cg_exo -59.41 161.8 16.23 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.463 2.109 . . . . 0.0 111.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 89.42 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.28 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 74' ' ' LEU . 95.5 mt -142.18 113.81 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.981 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 113.81 25.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -159.68 26.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.608 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -97.22 102.21 13.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 70' ' ' LEU . 85.1 mt -88.62 105.02 17.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.099 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 42.5 tt0 -65.66 88.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 46' ' ' CYS . 5.1 mm -106.14 105.17 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.644 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.08 101.05 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.227 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 115.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.754 -179.059 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.35 -30.34 64.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.076 0.465 . . . . 0.0 109.85 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.97 -35.72 8.25 Favored Glycine 0 C--N 1.333 0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.226 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.1 p30 -140.76 12.4 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.982 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 26.17 59.45 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 114.134 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 44.3 t80 -84.5 103.7 13.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 117.741 0.77 . . . . 0.0 111.185 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -89.67 113.07 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.394 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.11 141.14 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.687 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 44.8 mt-10 -80.29 124.13 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 87' ' ' LEU . 3.9 mm? -123.63 169.26 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -86.05 160.22 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.733 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.38 -26.59 42.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.62 -57.79 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.725 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.54 60.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.742 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.46 -34.08 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.46 -20.63 59.15 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.419 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.19 -45.82 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.269 0.557 . . . . 0.0 110.284 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 141' ' ' ILE . 22.7 t -71.91 -27.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.585 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.46 -48.09 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.751 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -72.85 -39.66 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.403 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.2 mt -56.58 -51.98 66.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.1 m-85 -57.16 -32.01 65.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.481 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.12 -41.7 85.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 91.4 mt -58.97 -43.06 91.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.39 72.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.265 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -85.45 -45.29 11.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.877 0.339 . . . . 0.0 111.271 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.851 ' HG ' HD22 ' A' ' 37' ' ' LEU . 28.3 mt -61.99 -37.59 85.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.04 -37.65 88.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.358 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.34 -9.46 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.886 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -179.649 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.7 mm -62.16 -31.38 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.77 -45.81 70.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.944 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -57.14 -38.45 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.99 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 15.7 t80 -60.63 -52.01 66.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -65.35 -32.67 74.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.435 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.528 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 10.2 m-85 -65.68 -52.2 53.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 59' ' ' LEU . 54.4 tp -67.85 -43.98 78.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.29 -35.98 13.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.335 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.7 -31.17 60.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.649 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 35.2 t80 -69.84 -30.81 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -61.33 -23.53 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.924 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.31 58.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.85 -8.0 87.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 21.1 m-70 -81.25 146.82 59.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.617 0.246 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 25.1 Cg_exo -62.83 -21.85 73.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.677 2.251 . . . . 0.0 111.946 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.3 15.45 28.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.605 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.17 -45.39 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.06 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.77 -47.71 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.798 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -73.58 -38.4 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.423 HG21 ' HB1' ' A' ' 128' ' ' ALA . 92.3 mt -65.17 -52.87 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.58 -36.17 83.35 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 14.4 ptm180 -73.19 -28.17 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 109.963 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.72 -34.42 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -93.77 -13.75 8.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 121.39 0.496 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG11 ' HB2' ' A' ' 61' ' ' ASP . 64.6 t -67.07 130.33 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.28 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.493 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 81.3 p -145.55 140.34 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.11 177.14 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.008 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.2 t -161.87 160.75 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.66 118.72 30.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.12 153.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -51.85 152.05 3.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.5 pm0 -65.43 -31.94 73.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.61 -2.81 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.549 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.9 mm-40 -111.69 -16.97 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 13.8 ptm180 -71.96 -27.36 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.8 pp -71.39 -27.09 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.0 t70 -101.97 -9.42 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.549 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.1 t80 -62.53 -38.72 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.171 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 4.0 mm? -58.68 -58.35 19.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.181 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 35.6 Cg_endo -66.56 -10.41 27.77 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 121.85 1.7 . . . . 0.0 111.234 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 2.7 m -76.15 -39.09 55.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.069 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' HE2' ' HE ' ' A' ' 120' ' ' ARG . 12.3 t80 -122.46 -71.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -41.72 -38.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 114.63 145.87 8.96 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 17.8 Cg_endo -59.6 -12.84 18.89 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.408 2.072 . . . . 0.0 111.975 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -99.9 -43.74 6.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.587 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.677 ' HB3' ' HD2' ' A' ' 26' ' ' PHE . 10.9 mp -68.38 -28.32 67.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.4 ptm -32.66 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.4 ptt? -101.39 -36.34 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.705 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 74.5 mtp180 -67.26 -21.36 65.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.302 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.547 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -99.95 -45.32 2.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.877 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -58.47 -36.46 73.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.88 0.372 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.41 -30.72 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.66 -33.22 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.0 m -76.4 -39.45 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.322 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -77.27 -22.49 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.5 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.18 92.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.808 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 97.4 m95 -84.02 -31.05 25.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -59.47 -25.84 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.324 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -92.26 -17.52 24.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -82.38 -6.34 59.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 78' ' ' VAL . 16.4 mt -94.23 -25.98 16.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.0 t -129.92 127.31 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.614 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.744 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.4 pt-20 -68.83 -25.19 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.744 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 62.8 mtm180 -108.12 47.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.6 t80 -115.04 95.9 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.171 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -72.51 -49.25 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.23 -172.04 35.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' H ' ' A' ' 69' ' ' ASP . . . -176.25 177.44 1.53 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.685 0.279 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.84 95.72 10.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.21 75.94 0.98 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.072 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.1 m-70 -49.67 141.11 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 24.5 m-85 -85.38 128.78 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 42.6 m-85 -115.19 139.85 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -108.45 105.65 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.957 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 7.5 mt -79.65 150.81 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -76.52 -5.44 47.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.94 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HB2' HG11 ' A' ' 8' ' ' VAL . 9.6 t0 -97.84 -34.67 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.75 0.309 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.94 12.1 6.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.374 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.83 -53.01 4.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.224 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.732 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 29.3 m-85 65.34 124.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.955 0.407 . . . . 0.0 110.756 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.7 p90 -135.26 167.92 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.499 ' HE2' HG21 ' A' ' 38' ' ' VAL . 75.8 mtp -122.92 141.78 51.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.58 130.63 18.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 31.2 Cg_endo -64.71 161.84 34.13 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 23.1 t70 -103.73 84.39 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.803 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 63.0 mt -137.46 109.86 7.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 111.53 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.511 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.29 -173.44 22.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.632 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.89 116.36 29.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.262 0.553 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 70' ' ' LEU . 3.0 mp -118.92 127.45 53.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.52 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 71.9 mm-40 -68.26 107.53 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.1 mm -114.78 106.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.025 0.44 . . . . 0.0 111.025 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 8.3 pt-20 -94.29 96.54 9.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.635 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.753 HG12 HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -71.91 104.53 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.663 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -62.29 -32.39 73.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.34 -35.73 2.8 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.984 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p30 -141.08 13.61 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.92 0.39 . . . . 0.0 110.728 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.15 29.11 59.37 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.873 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 72.0 t80 -89.87 101.11 13.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 117.649 0.724 . . . . 0.0 111.074 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -85.5 115.03 22.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.55 145.56 9.14 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.706 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.52 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 9.0 pt-20 -79.13 127.47 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.4 tp -138.51 150.9 46.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 t -71.21 158.24 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -61.27 -18.34 57.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.88 -58.16 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -15.2 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.364 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.08 13.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.367 . . . . 0.0 110.221 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.97 -17.34 43.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.183 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mm -73.42 -34.42 42.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 141' ' ' ILE . 76.4 t -82.68 -26.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.46 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -71.27 -48.67 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 111.64 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.66 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -71.73 -42.16 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 98' ' ' LEU . 19.9 mt -56.7 -47.81 79.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 3.4 m-85 -59.36 -31.72 69.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.56 -41.14 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.9 mt -57.98 -41.82 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.23 89.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.379 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.625 ' NE2' HD11 ' A' ' 37' ' ' LEU . 24.1 tt0 -77.16 -48.17 18.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.876 0.338 . . . . 0.0 111.298 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.34 -33.22 67.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -75.07 -30.35 60.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.32 -13.84 34.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.58 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.898 -179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.0 mm -65.47 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -41.22 64.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.831 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -61.15 -38.3 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.94 -48.66 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.755 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -61.46 -28.26 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -73.04 -53.5 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 65' ' ' TYR . 47.8 tp -63.92 -44.59 92.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.058 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -47.08 -37.99 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.05 -32.55 73.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.98 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 68.8 t80 -73.55 -27.21 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.667 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.31 -27.22 69.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.53 -22.93 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.43 67.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -68.45 151.68 97.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.41 -12.31 35.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.473 2.116 . . . . 0.0 111.703 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -121.96 25.23 9.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.543 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -45.57 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.805 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -56.83 -44.53 82.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.09 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 111.733 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.407 HG21 ' HB1' ' A' ' 128' ' ' ALA . 95.9 mt -66.91 -53.03 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.2 -34.83 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.351 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.16 -31.97 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.053 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.49 -35.7 81.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 95' ' ' VAL . 45.3 pt -94.25 -12.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.99 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.059 -179.772 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 CA--C 1.518 -0.315 0 CA-C-O 121.297 0.457 . . . . 0.0 113.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 60' ' ' SER . 48.4 t -63.9 135.16 28.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.423 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -148.94 144.26 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -85.85 178.42 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.0 t -157.23 166.94 31.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' NH2' ' A' ' 18' ' ' ARG . 15.3 tp -94.68 133.0 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -99.44 146.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 147.7 52.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 12.7 pt-20 -61.42 -31.01 70.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.457 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 22.9 mm-40 -114.82 -10.5 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' NH2' HD11 ' A' ' 12' ' ' LEU . 31.6 mtt180 -68.23 -31.07 70.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.5 pp -64.44 -23.3 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.274 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.639 ' N ' HD12 ' A' ' 19' ' ' LEU . 22.9 t70 -114.22 -14.52 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.7 t80 -64.77 -39.2 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.698 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -61.41 -54.7 50.19 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' C ' ' A' ' 20' ' ' ASP . 55.0 Cg_endo -70.59 -13.91 32.98 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.205 1.937 . . . . 0.0 112.228 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.0 m -81.13 -39.0 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.766 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 24' ' ' THR . 13.6 m-85 -101.04 -25.56 14.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -103.26 -36.69 7.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.01 147.14 7.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.153 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.31 -17.98 49.98 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.449 2.099 . . . . 0.0 112.009 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -96.72 -43.37 7.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.462 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' MET . 10.2 mp -70.49 -26.94 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.664 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -30.61 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 26.1 ptm -100.15 -34.41 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.595 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 29' ' ' ARG . 39.0 mmt180 -63.45 -31.54 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.288 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.505 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -95.75 -40.81 4.02 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.656 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 13.0 tp10 -53.08 -41.79 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 110.097 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.48 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -82.36 -22.76 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.42 -39.71 77.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.33 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -71.72 -40.25 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.28 -22.11 58.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.428 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.94 -44.4 92.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.276 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.463 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -73.63 -33.49 64.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.578 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.6 tpt -62.42 -45.44 93.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.514 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -68.12 -12.11 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.987 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.9 mtt180 -87.32 -19.0 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.447 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 76' ' ' ILE . 7.7 mt -84.86 -25.21 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.543 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.894 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.1 t -119.57 155.53 32.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.487 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.38 -20.1 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -114.89 14.67 17.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.894 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -69.44 90.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.03 0.443 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -81.64 -21.06 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.174 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.7 173.84 20.51 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -168.06 168.19 12.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.833 0.349 . . . . 0.0 111.386 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -86.93 90.71 8.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -71.61 78.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.491 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 91.8 m-70 -54.26 146.78 14.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 6.3 m-30 -92.05 135.1 34.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.022 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.3 m-85 -122.35 142.83 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.661 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.43 108.79 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 9.6 mt -86.15 154.14 21.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.615 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.2 t -62.98 -30.77 71.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.362 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' OD2' HG21 ' A' ' 8' ' ' VAL . 75.2 m-20 -84.17 -0.91 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.9 8.76 87.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.251 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -60.92 -46.65 94.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.351 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.8 t80 62.49 118.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.033 0.444 . . . . 0.0 111.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.582 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.2 p90 -133.5 153.89 51.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.427 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 34.8 mtm -114.86 142.18 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.12 139.4 31.74 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.477 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 42.6 Cg_endo -67.42 162.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.51 2.14 . . . . 0.0 111.77 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.613 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.8 t70 -104.14 86.68 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -139.81 105.07 5.03 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.314 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 115.51 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.11 -152.74 21.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -115.03 118.31 33.05 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 110.733 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -126.04 125.12 42.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 10.0 pt-20 -63.14 112.26 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.217 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -125.56 105.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.5 pt-20 -79.84 124.54 28.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.854 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 140' ' ' ALA . 45.5 t -90.97 90.15 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.258 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -74.71 19.16 0.14 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.657 0.265 . . . . 0.0 111.362 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -94.01 -20.04 31.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.265 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -155.69 11.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.501 -0.349 . . . . 0.0 110.715 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.25 17.99 79.73 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.093 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.5 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 50.1 t80 -86.76 93.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.25 111.4 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.638 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.43 138.0 5.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.549 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 34.8 mt-10 -70.53 137.03 49.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.1 148.17 29.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.906 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.8 m -63.28 -170.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -88.44 -18.29 28.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.247 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -83.57 -58.68 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.731 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -65.28 -18.51 65.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.665 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.12 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 97' ' ' THR . . . -56.91 -20.42 33.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.418 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.46 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.149 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 141' ' ' ILE . 39.0 t -75.2 -29.42 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.34 -46.53 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.546 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -73.36 -42.94 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.424 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' HG ' HD23 ' A' ' 124' ' ' LEU . 37.1 mt -55.43 -50.35 70.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.011 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.1 m-85 -57.65 -31.25 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.945 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -70.05 -40.3 75.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.002 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.71 -42.78 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.205 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.43 76.36 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.614 . . . . 0.0 113.592 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 37' ' ' LEU . 9.0 tt0 -79.49 -47.73 15.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.985 0.392 . . . . 0.0 111.45 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.505 HD11 ' HA2' ' A' ' 34' ' ' GLY . 85.1 mt -56.93 -23.63 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.064 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -81.98 -35.24 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 -9.5 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 105' ' ' ALA . 3.2 pp . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.018 0.437 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.4 mm -49.92 -29.35 5.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.7 -41.85 56.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.899 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -59.24 -38.62 80.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -57.17 -55.96 27.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -57.63 -37.6 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -59.77 -56.38 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.514 HD23 ' HG ' ' A' ' 98' ' ' LEU . 61.4 tp -62.28 -46.19 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.219 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -44.09 -37.82 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.377 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.28 -34.58 75.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.997 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -67.41 -28.57 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.987 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.72 -31.14 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.93 -27.1 67.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.39 -12.18 84.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.076 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 55.9 m-70 -85.98 149.04 49.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.501 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 21.7 Cg_exo -64.88 -33.51 52.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.68 2.253 . . . . 0.0 112.083 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.2 mp0 -89.65 15.8 8.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.15 -44.42 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.186 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.28 71.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.78 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.575 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -64.82 -53.04 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -64.59 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.4 -33.07 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.319 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.07 -34.84 78.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.704 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.521 HG22 HG13 ' A' ' 95' ' ' VAL . 47.0 pt -92.51 -14.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.027 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 113.026 0.356 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 61' ' ' ASP . 62.0 t -121.6 136.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.505 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 77.5 p -146.87 142.35 27.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -87.68 -179.56 6.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 111.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 41.2 t -157.81 165.62 34.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.718 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.74 119.8 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 14' ' ' ALA . 23.8 t -78.82 155.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -55.99 155.32 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.78 -25.93 62.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.367 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.02 -1.63 51.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.747 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm-40 -121.38 -14.87 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.658 0.266 . . . . 0.0 111.487 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 16.7 ptm180 -71.05 -21.13 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.82 -17.61 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.998 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.1 t70 -115.73 -9.57 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 7.7 t80 -72.99 -42.66 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -59.95 -51.37 81.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.738 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 57.6 Cg_endo -71.01 -16.39 32.32 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.237 1.958 . . . . 0.0 111.937 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 25' ' ' TYR . 1.8 m -80.27 -32.21 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.235 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 23.7 m-85 -105.51 -20.61 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -108.78 -39.28 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.486 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.51 140.21 4.08 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.756 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 24.0 Cg_endo -61.03 -16.41 45.42 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.9 tpt180 -99.51 -34.73 10.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 8.5 mp -75.63 -28.86 58.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -31.67 -38.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.6 -31.39 10.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.392 . . . . 0.0 110.672 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 30.8 mmm180 -72.78 -13.59 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -108.87 -44.48 1.11 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.361 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -58.94 -34.57 71.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 110.02 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -79.31 -21.7 45.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.15 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.658 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -78.47 -38.16 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.1 m -68.97 -39.05 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.108 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -79.18 -19.58 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -66.27 -36.56 83.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.553 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.7 m95 -81.16 -33.01 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.717 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.489 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 42.7 tpp -65.07 -45.97 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' CE2' ' A' ' 39' ' ' TYR . 8.6 ptm180 -65.49 -17.77 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.402 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 70.2 mtp180 -82.27 -50.45 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.712 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 33.3 mt -47.62 -25.16 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.815 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 40.5 t -121.9 146.25 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.18 -28.17 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -117.93 54.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.345 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -109.81 91.55 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -65.76 -41.51 92.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.06 -169.78 28.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.388 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -177.05 178.81 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.05 96.46 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -74.06 75.38 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.171 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -45.67 131.18 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.144 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.523 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 27.2 m-85 -83.67 86.42 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 60.8 m-85 -73.66 148.71 42.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.448 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 113.38 23.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mt -86.85 151.08 23.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.0 p -73.57 -18.47 61.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.0 t0 -87.88 -9.86 52.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.63 7.24 63.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 123' ' ' PHE . . . -102.03 42.51 1.89 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.641 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 10.9 p90 -34.88 143.66 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.551 0.341 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.56 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.5 p90 -134.03 165.13 25.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.224 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE2' HG21 ' A' ' 38' ' ' VAL . 71.4 mtp -115.4 134.01 55.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.1 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -132.41 128.96 21.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 89' ' ' ALA . 46.3 Cg_endo -68.06 162.0 41.9 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 18.9 t70 -103.76 83.89 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 52' ' ' ALA . 1.1 mp -134.9 116.94 15.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.08 107.24 18.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.43 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.516 ' O ' ' HG ' ' A' ' 74' ' ' LEU . . . 144.53 165.5 11.07 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.752 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -61.2 94.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 70' ' ' LEU . 28.7 mt -87.07 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.159 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 43.2 mt-10 -65.38 90.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.5 mm -113.44 106.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.605 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -94.79 139.13 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.682 178.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.578 ' CG2' ' HB3' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -107.31 106.64 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.624 -179.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.452 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.5 m-80 -63.94 -32.29 73.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 109.87 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.69 -33.17 4.62 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.281 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.498 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.0 p30 -143.43 14.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.88 29.67 59.12 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.578 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 79.6 t80 -90.19 105.76 18.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.176 0.988 . . . . 0.0 111.202 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -89.27 115.05 26.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.008 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.72 143.06 7.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.027 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.9 mp0 -80.35 135.4 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.372 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.579 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 11.4 tp -141.05 170.05 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.881 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -84.75 161.75 19.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.01 -25.03 66.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.02 -55.67 4.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.84 -6.72 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.734 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.32 -38.57 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.476 ' O ' HG22 ' A' ' 97' ' ' THR . . . -55.22 -29.99 53.82 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.913 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 137' ' ' ILE . 4.3 mt -61.59 -49.27 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.232 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 141' ' ' ILE . 59.7 t -66.52 -22.14 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -75.35 -47.25 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.327 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' HB2' ' A' ' 65' ' ' TYR . 2.7 t -74.6 -42.54 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 101' ' ' LEU . 50.8 mt -51.97 -53.41 41.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 95' ' ' VAL . 12.2 m-85 -57.54 -34.09 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.69 -36.66 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 98' ' ' LEU . 90.5 mt -58.09 -42.58 85.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.914 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.29 -34.02 61.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.028 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.07 -50.17 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.583 HD23 HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.02 -40.87 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.809 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.08 -36.52 83.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.82 -12.37 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.809 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.977 0.417 . . . . 0.0 110.529 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.7 mm -61.18 -34.84 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.318 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.473 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -53.12 -42.95 66.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -54.16 -38.33 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.096 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.28 -54.56 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -58.52 -34.11 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.67 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 23.1 m-30 -67.87 -54.36 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.329 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.1 tp -63.36 -45.64 90.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -46.71 -39.19 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.37 -29.68 63.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.951 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 62.9 t80 -72.53 -34.49 67.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -64.63 -15.09 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.07 -25.11 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.22 -6.45 87.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.87 145.35 57.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.605 0.241 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.94 -23.8 67.84 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.482 2.121 . . . . 0.0 112.118 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -100.35 15.32 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.14 -45.07 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.02 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.572 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.8 70.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.328 . . . . 0.0 111.698 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 94' ' ' ILE . 89.6 mt -64.68 -52.92 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -65.61 -36.28 83.28 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -71.45 -32.83 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -65.99 -33.29 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.794 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.658 HG22 HG13 ' A' ' 95' ' ' VAL . 49.0 pt -92.06 -16.83 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.944 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 CA-C-O 121.225 0.427 . . . . 0.0 112.953 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.479 HG11 ' OD2' ' A' ' 61' ' ' ASP . 23.6 t -128.92 138.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.644 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 64.6 p -145.38 138.23 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.44 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -83.91 -176.28 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.3 t -157.82 149.57 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.7 tp -88.84 118.82 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.54 151.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.88 162.79 1.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -82.92 -28.9 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.72 -1.29 57.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.646 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -122.52 -18.74 6.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.647 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 6.3 ptm180 -69.91 -21.29 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.324 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.71 -23.1 63.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -114.2 -6.07 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 0.0 110.12 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.91 -41.72 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.737 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 31' ' ' MET . 4.5 mt -62.58 -54.63 46.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.457 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 45.7 Cg_endo -68.46 -13.34 37.26 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.087 1.858 . . . . 0.0 112.561 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -91.26 -41.39 10.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 89.0 m-85 -109.3 -33.27 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.2 t80 -89.87 -38.36 13.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.592 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.34 135.49 3.37 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.045 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 16.6 Cg_endo -57.29 -21.51 44.41 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.417 2.078 . . . . 0.0 112.092 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 tmt_? -95.5 -41.36 9.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.125 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 7.8 mp -65.81 -37.3 85.88 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.572 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.54 -42.54 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 19.4 ptp -99.48 -36.19 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 27.3 mmm180 -67.32 -15.49 63.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.177 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -107.14 -42.81 1.46 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.501 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.6 pt-20 -58.68 -40.15 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.96 -25.87 53.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.688 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.654 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -75.44 -34.27 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.5 m -70.95 -39.5 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.46 -21.04 53.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.442 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -64.64 -37.38 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.81 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -83.23 -30.74 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.55 ' HE2' ' HG2' ' A' ' 68' ' ' PRO . 9.6 tpt -59.53 -37.92 79.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -79.03 -4.77 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.233 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.4 mtt180 -94.18 -14.85 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.8 mt -89.39 -25.41 21.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.3 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.849 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.9 t -121.21 150.5 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 11.0 pt-20 -91.18 -20.41 22.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.334 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 98.9 mtt180 -110.43 8.14 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.346 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.849 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -66.1 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 111.047 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -76.42 -57.75 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.743 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.28 160.11 33.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -153.22 152.73 31.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 92.97 4.8 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.505 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 2.4 m0 -66.55 152.49 45.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.449 0.643 . . . . 0.0 111.495 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.584 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 94.4 m-70 -134.15 136.98 44.18 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.663 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.647 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.1 m-30 -88.36 135.27 33.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' SER . 43.3 m-85 -122.0 144.37 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.652 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.681 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.19 99.57 8.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.808 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 14.6 mt -75.23 144.59 42.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 t -73.74 -11.67 60.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.582 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 2.1 p30 -81.57 -20.37 40.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.89 34.63 6.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.4 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -113.93 -41.76 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.693 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.681 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 24.7 m-85 64.38 123.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.648 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 3.5 p90 -133.09 165.59 24.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.088 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 38' ' ' VAL . 69.2 mtp -120.93 140.67 51.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.648 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.89 125.27 11.58 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.36 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 42' ' ' MET . 35.3 Cg_exo -60.73 169.44 5.63 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 111.703 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 70' ' ' LEU . 17.2 t70 -111.91 90.81 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.8 mm? -134.56 109.44 8.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.148 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.58 110.62 22.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.303 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.72 -155.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.702 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -111.62 114.03 26.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 70' ' ' LEU . 2.8 mp -113.05 126.62 55.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 45.6 mm-40 -66.91 104.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.2 mm -115.77 105.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.234 0.54 . . . . 0.0 111.672 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' LEU . 9.9 pt-20 -84.82 102.41 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.833 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 13.3 t -77.12 94.41 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.302 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.32 -35.88 80.33 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.44 -25.6 0.1 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.13 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.596 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.1 p30 -151.85 11.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.27 . . . . 0.0 110.925 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.18 17.95 68.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.287 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 48.9 t80 -78.48 91.49 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.048 0.424 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -78.7 103.7 8.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.84 130.4 2.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.494 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.485 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 11.1 pt-20 -69.57 132.27 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' HG2' ' A' ' 133' ' ' GLU . 16.7 tp -144.92 157.65 44.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 111.162 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.2 p -78.61 173.31 12.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -79.49 -5.17 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.355 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' O ' HD11 ' A' ' 94' ' ' ILE . 11.6 t70 -93.27 -24.63 18.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 110.555 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.86 -11.99 15.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.098 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.74 -36.11 9.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.93 -21.39 52.17 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.221 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.407 HD11 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -68.34 -34.7 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.199 0.523 . . . . 0.0 110.015 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 141' ' ' ILE . 53.4 t -78.97 -33.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -64.67 -45.82 85.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.52 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -71.91 -43.8 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.446 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 141' ' ' ILE . 28.0 mt -53.03 -53.13 54.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.38 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 11.2 m-85 -57.61 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.17 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.654 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -63.78 -44.74 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.65 -41.52 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.26 -28.42 73.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.873 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.02 -47.86 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -59.05 -44.81 91.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.783 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -60.22 -34.96 74.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.45 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.721 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.994 0.426 . . . . 0.0 110.123 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.9 mm -66.45 -30.93 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -37.81 59.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.462 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 6.7 mpt_? -64.27 -37.13 86.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.5 -39.12 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -24.04 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.941 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.582 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 20.9 m-85 -92.54 -50.33 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.0 tt -50.57 -55.51 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -47.14 -41.5 17.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.779 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.37 -31.26 78.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 79.2 t80 -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.463 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.74 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.224 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.88 -9.15 83.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 11.1 m-70 -74.5 147.79 85.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 26.0 Cg_exo -62.78 -14.66 41.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.698 2.266 . . . . 0.0 112.022 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 4.3 mp0 -116.21 20.12 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.392 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.44 -47.15 4.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.202 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -51.96 -47.84 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.545 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.4 78.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.651 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.3 mt -65.92 -52.54 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.71 -36.9 85.37 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.502 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 18.3 ptp180 -73.93 -28.8 61.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 109.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.517 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.61 -36.24 82.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.651 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.598 HG22 HG13 ' A' ' 95' ' ' VAL . 48.9 pt -92.3 -13.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.983 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 121.381 0.492 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 59' ' ' LEU . 3.2 t -76.22 125.16 35.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.134 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' HD23 ' A' ' 59' ' ' LEU . 67.7 p -138.39 138.99 38.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -82.87 176.81 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -158.43 160.72 37.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 tp -93.62 120.59 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 14' ' ' ALA . 10.7 t -82.39 158.39 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -55.63 151.29 11.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.5 pt-20 -72.07 -22.06 61.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.247 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.58 6.36 37.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.561 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.0 mm-40 -125.82 -18.49 5.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 32.8 ptt180 -72.05 -21.75 61.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.269 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.73 -17.64 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.749 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 4.9 t70 -115.89 -9.35 11.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.898 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 21.6 t80 -80.49 -34.97 35.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.941 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.12 -50.85 66.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.291 179.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 59.1 Cg_endo -72.12 -15.49 28.86 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 0.0 111.928 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -84.11 -33.61 24.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.602 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 m-85 -100.37 -27.67 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.296 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.609 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -100.74 -45.48 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.042 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 143.17 140.49 3.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.449 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.58 -19.04 50.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.461 2.107 . . . . 0.0 112.17 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.808 HD22 HD21 ' A' ' 104' ' ' LEU . 95.4 mt -68.59 -35.37 77.27 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.555 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -30.1 -40.35 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.649 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.1 ptt? -101.38 -31.6 10.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 23.4 mmm180 -74.34 -11.75 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA3' ' HE2' ' A' ' 26' ' ' PHE . . . -109.78 -43.81 1.09 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.105 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.2 pt-20 -57.59 -36.25 71.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 109.779 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -79.12 -17.09 55.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.782 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.6 mt -82.31 -41.85 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.922 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 66' ' ' MET . 4.5 m -66.95 -38.88 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -24.8 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -62.72 -36.58 83.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -79.99 -33.87 39.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.697 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.521 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 10.7 tpt -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.65 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -64.38 -23.43 67.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.698 0.285 . . . . 0.0 111.256 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -78.02 -47.52 18.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' ' 78' ' ' VAL . 71.6 mt -48.03 -26.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.9 t -132.41 123.74 27.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 13.1 pt-20 -65.64 -25.02 67.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.562 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 29.7 mmm180 -107.28 46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.956 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -114.73 96.2 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.966 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -71.82 -48.98 42.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.558 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -178.01 -179.69 0.77 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 21.8 m-85 -91.65 96.31 10.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.465 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -78.37 77.27 4.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.249 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 66' ' ' MET . 92.6 m-70 -44.05 138.52 2.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.234 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 7.0 m-85 -90.79 81.72 5.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.959 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 56.3 m-85 -68.48 149.7 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.55 119.15 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 8' ' ' VAL . 10.1 mt -91.57 151.66 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -67.48 -25.25 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.851 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 7.96 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.666 0.27 . . . . 0.0 111.335 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.51 2.24 87.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.705 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -86.74 30.72 4.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.051 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 29.9 p90 -37.22 144.62 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.888 0.375 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 9.1 p90 -135.37 178.13 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.665 ' HE2' HG21 ' A' ' 38' ' ' VAL . 64.7 mtp -127.31 136.52 52.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.654 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.36 124.42 18.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.358 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 31.8 Cg_exo -58.8 158.59 23.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.577 2.185 . . . . 0.0 111.967 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.8 t70 -104.37 84.22 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 81.7 mt -134.01 105.44 6.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.06 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.43 -149.54 20.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.703 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -128.48 137.22 51.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.096 0.474 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -129.24 153.32 47.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.979 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -91.02 102.53 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.122 0.487 . . . . 0.0 111.018 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -109.92 110.93 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.187 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 35.8 mt-10 -85.57 125.63 33.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.671 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.8 t -99.82 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.96 -37.9 64.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.548 0.213 . . . . 0.0 111.309 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -44.55 -21.52 0.29 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.989 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.48 HD21 ' HA ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -144.76 6.94 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.895 0.379 . . . . 0.0 110.788 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.1 13.42 59.81 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.198 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -82.85 94.84 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 111.472 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 57.8 ttp180 -82.26 110.87 17.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.4 133.83 3.61 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 119.654 -1.26 . . . . 0.0 113.801 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 31.0 mt-10 -74.33 138.2 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.8 tp -157.73 153.16 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -70.11 153.95 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.752 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.46 -12.28 5.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.484 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.15 -58.87 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -75.18 -10.71 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -94.65 -37.37 11.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.146 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.09 -20.34 42.0 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.08 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mm -66.18 -39.47 84.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 109.864 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 141' ' ' ILE . 51.2 t -78.95 -28.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.194 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.63 -47.24 70.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.68 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -72.73 -42.39 64.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.345 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 101' ' ' LEU . 27.9 mt -54.93 -50.66 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.01 -27.18 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -73.4 -36.47 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -63.95 -45.21 90.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.257 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.05 90.9 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.511 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 10.5 tt0 -80.45 -45.73 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.909 0.354 . . . . 0.0 111.343 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.808 HD21 HD22 ' A' ' 30' ' ' LEU . 27.4 tp -61.49 -33.77 74.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.729 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -71.27 -34.41 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 103' ' ' GLN . 43.9 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.022 0.439 . . . . 0.0 109.905 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 117' ' ' LEU . 7.6 mm -62.02 -33.08 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -47.56 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.1 mpt_? -53.9 -37.22 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.985 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.54 -57.33 11.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -56.64 -45.2 81.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.28 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.58 -56.91 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.19 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.5 tp -55.34 -54.86 38.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.145 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -44.05 -41.46 5.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.21 -36.45 93.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.863 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.38 -28.18 64.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.37 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.89 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.98 -24.63 58.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.88 -11.84 83.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -78.51 146.35 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.561 0.22 . . . . 0.0 110.978 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.71 -21.72 69.79 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 111.728 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -103.56 17.24 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.482 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.72 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.17 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -51.93 -47.1 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.423 ' HA ' ' CD ' ' A' ' 139' ' ' ARG . . . -70.66 -37.18 73.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -66.6 -51.98 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -66.54 -36.1 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.488 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 136' ' ' ALA . 13.2 ptm180 -72.59 -32.5 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 110.068 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.48 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.827 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.718 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -94.5 -13.82 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.793 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.954 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 9' ' ' THR . 40.6 Cg_exo . . . . . 0 N--CA 1.472 0.224 0 CA-C-O 120.906 0.294 . . . . 0.0 112.535 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.697 HG11 ' HB2' ' A' ' 61' ' ' ASP . 95.4 t -24.68 134.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.016 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 7' ' ' PRO . 27.6 p -142.34 146.92 35.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.851 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 178.04 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -161.42 161.45 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.4 119.78 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -77.54 155.81 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -54.81 165.2 0.65 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.1 -27.03 30.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.358 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.6 -3.8 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.545 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.5 mm-40 -116.28 -18.58 10.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.73 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 9.9 ptm180 -65.02 -25.79 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.469 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.909 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.74 -15.91 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 111.436 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.617 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.1 t70 -111.29 -14.12 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -70.51 -43.13 70.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -56.09 -53.01 68.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.681 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 55.4 Cg_endo -70.16 -15.68 35.67 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.363 2.042 . . . . 0.0 112.161 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 25' ' ' TYR . 4.9 m -81.99 -32.36 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.869 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 24' ' ' THR . 12.7 m-85 -106.73 -20.12 13.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.57 -35.7 6.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 132.8 138.24 4.05 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.476 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.9 Cg_endo -57.45 -15.94 21.52 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.683 2.255 . . . . 0.0 112.244 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -102.0 -34.36 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.467 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.4 mp -76.27 -26.24 55.73 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 ptm -34.01 -35.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 22.6 ptp -100.92 -34.71 9.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.44 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -67.61 -17.4 64.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.971 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -106.12 -42.94 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.834 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.7 pt-20 -57.42 -37.97 73.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.61 -24.3 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.503 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -76.26 -36.49 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 100' ' ' ALA . 4.8 m -70.24 -38.25 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.833 0.349 . . . . 0.0 111.178 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.89 -24.26 48.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.58 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.606 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 90.2 m95 -78.67 -34.08 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.621 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 1.8 tpt -61.73 -41.78 98.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.851 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -76.42 -9.41 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.77 -179.086 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -93.29 -43.89 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.212 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 50.8 mt -52.46 -24.89 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.813 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.818 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 37.7 t -119.32 139.87 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.229 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 9.8 pt-20 -77.6 -28.83 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.738 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 76.3 mtp180 -115.77 54.83 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.818 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -114.71 97.64 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.977 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -73.34 -47.66 40.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.51 -169.85 33.41 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.729 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -179.76 -177.1 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 29.1 m-85 -91.41 99.55 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.93 0.395 . . . . 0.0 111.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.443 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.59 77.28 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.034 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 82.8 m-70 -49.5 142.23 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.401 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.73 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 25.6 m-85 -85.86 127.64 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 47.6 m-85 -116.44 142.64 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.684 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 118.13 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.631 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.2 mt -91.43 148.31 22.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -75.8 -15.81 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.909 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.697 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.7 t70 -73.52 -21.6 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.67 -3.61 13.38 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.828 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.01 -147.53 19.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.116 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 35.4 p90 -179.58 148.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.744 0.307 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.4 p90 -136.77 160.18 39.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.417 ' HG2' ' HD1' ' A' ' 56' ' ' TYR . 74.5 mtp -116.26 136.66 52.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.62 119.1 18.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.026 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 44.6 Cg_exo -55.48 160.17 9.52 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.329 2.019 . . . . 0.0 111.663 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.4 t70 -101.89 88.71 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 111.281 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 91.3 mt -142.42 111.19 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.77 113.05 25.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.266 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.87 -161.9 28.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.666 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HD3' ' OE1' ' A' ' 86' ' ' GLU . 59.6 mtt180 -101.08 108.75 20.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 70' ' ' LEU . 65.3 mt -101.78 114.57 28.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.476 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 86' ' ' GLU . 5.2 mm-40 -72.68 86.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.732 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.6 mm -97.85 107.47 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 0.0 111.21 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.728 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 41.2 mt-10 -92.16 102.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.552 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -72.47 104.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.608 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.606 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.3 23.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.901 0.382 . . . . 0.0 110.58 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -104.11 -30.89 4.92 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.552 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.505 HD21 ' HA ' ' A' ' 140' ' ' ALA . 5.2 p30 -137.57 6.91 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 110.081 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.92 24.04 72.88 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 114.236 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 48.5 t80 -85.98 92.46 8.69 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.932 0.866 . . . . 0.0 111.265 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.8 ttt180 -79.64 113.21 17.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.989 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 168.27 38.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.627 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.604 ' OE1' ' HD3' ' A' ' 73' ' ' ARG . 9.6 pt-20 -106.89 126.31 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.476 HD22 ' C ' ' A' ' 86' ' ' GLU . 4.0 mm? -126.94 171.31 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.2 m -86.97 165.49 15.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.843 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.99 -28.33 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 94' ' ' ILE . 12.9 t70 -79.88 -56.41 4.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.53 -18.04 49.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.473 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.621 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -95.62 -33.29 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.063 0.459 . . . . 0.0 110.14 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 97' ' ' THR . . . -63.08 -23.37 65.94 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.632 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 128' ' ' ALA . 5.2 mm -67.28 -48.02 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 0.0 110.139 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.94 -22.57 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.352 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.476 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -75.47 -47.91 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.558 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.589 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -75.01 -42.46 57.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.436 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 141' ' ' ILE . 46.5 mt -54.09 -53.06 58.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.68 0.276 . . . . 0.0 111.29 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 6.8 m-85 -56.29 -35.69 67.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -64.06 -38.54 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.568 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.98 -42.38 94.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.029 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.3 -32.22 68.6 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.252 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.582 ' CD ' HD11 ' A' ' 37' ' ' LEU . 49.8 tt0 -73.95 -48.6 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.837 0.318 . . . . 0.0 111.373 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.6 -40.57 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.623 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -65.68 -33.23 75.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.06 42.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.067 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.345 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.8 pp . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.108 0.48 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.1 mm -48.74 -28.7 2.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.669 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -47.49 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.219 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -54.21 -37.9 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.87 -60.34 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.41 -36.9 69.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -59.51 -57.63 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.195 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.8 tp -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -45.6 -37.46 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.16 66.24 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.499 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 9' ' ' THR . 57.5 t80 -70.24 -45.57 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.353 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -68.79 -10.05 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.521 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.09 -19.78 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.523 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -111.6 13.79 27.49 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.124 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 2.6 m-70 -79.65 159.69 71.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.629 0.214 . . . . 0.0 110.68 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.478 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 19.7 Cg_endo -59.47 -26.71 82.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.58 2.187 . . . . 0.0 111.92 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.5 mp0 -113.08 19.35 17.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.708 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.5 -47.39 5.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.82 -42.91 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.767 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.91 57.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.521 HG21 ' HB1' ' A' ' 128' ' ' ALA . 88.3 mt -65.59 -51.85 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -66.73 -34.98 79.04 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.494 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 13.7 ptm180 -74.41 -31.01 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -64.16 -32.82 74.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.699 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.552 HD13 HD13 ' A' ' 98' ' ' LEU . 48.9 pt -95.44 -14.6 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 CA--C 1.518 -0.317 0 CA-C-O 121.596 0.582 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 60' ' ' SER . 40.6 t -75.49 125.89 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.466 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 56.6 p -142.91 139.06 30.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.948 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.09 176.51 9.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.7 t -157.47 156.14 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.2 tp -85.71 117.66 24.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -78.88 146.16 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -54.64 150.67 9.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.51 -32.24 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.74 -5.5 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.528 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.5 mm-40 -112.35 -15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.625 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 17.5 ptm180 -73.38 -17.86 61.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.601 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.7 pp -72.93 -26.11 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' N ' HD12 ' A' ' 19' ' ' LEU . 7.4 t70 -110.55 -16.29 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.558 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.1 t80 -67.29 -33.83 76.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 11.8 tp -65.35 -54.7 30.01 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.977 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 51.8 Cg_endo -69.93 -10.97 29.69 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.087 1.858 . . . . 0.0 112.102 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.4 m -91.23 -39.82 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CD1' HG22 ' A' ' 24' ' ' THR . 24.9 m-85 -104.47 -28.01 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.4 t80 -99.78 -38.88 8.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.48 138.19 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 29.6 Cg_endo -62.94 -20.59 71.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.453 2.102 . . . . 0.0 112.224 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' NE ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -101.87 -28.4 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.944 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 9.1 mp -75.97 -33.32 59.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.517 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.1 ptm -32.67 -40.61 0.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -97.93 -40.02 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -179.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.944 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 11.5 ptm180 -71.33 -11.31 60.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.735 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -103.95 -44.07 1.69 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.771 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 12.1 pt-20 -60.04 -37.69 80.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.38 -18.6 60.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.902 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.8 mt -81.41 -37.2 28.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.755 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 4.1 m -70.7 -37.99 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.051 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -27.99 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -58.42 -37.96 76.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.6 m95 -82.08 -32.66 30.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.9 tpp -63.8 -52.59 59.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.74 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -19.32 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.9 mtp180 -84.33 -23.29 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD22 HG12 ' A' ' 78' ' ' VAL . 22.0 mt -69.81 -28.12 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.398 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 47.4 t -130.33 137.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.732 0.301 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.3 pt-20 -76.51 -25.02 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.639 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 75.8 mtp180 -109.16 48.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.022 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.665 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.2 t80 -114.66 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.206 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.32 -54.02 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.19 -173.47 42.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.16 177.02 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.921 0.391 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.08 94.82 9.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.688 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 79.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB3' HD11 ' A' ' 12' ' ' LEU . 88.5 m-70 -50.25 131.91 24.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.377 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 22.7 m-30 -80.39 132.25 35.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.111 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 11' ' ' SER . 46.8 m-85 -117.87 141.05 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 111.92 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.39 104.74 14.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.494 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.8 mt -85.76 152.65 22.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.8 m -62.76 -29.42 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 8' ' ' VAL . 98.5 m-20 -88.66 6.34 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.29 7.71 64.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.0 86.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.298 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 56' ' ' TYR . 29.4 t80 63.21 121.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.945 0.402 . . . . 0.0 111.311 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.627 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.5 p90 -133.63 148.36 51.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.554 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 71.7 mtp -105.31 135.16 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.902 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.69 123.73 20.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.8 Cg_exo -59.96 164.36 12.24 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.577 2.185 . . . . 0.0 111.757 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.7 t70 -107.66 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -134.46 102.66 5.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.209 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.68 112.81 20.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.65 -148.28 18.66 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -112.89 111.52 22.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.89 114.45 27.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.554 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 15.2 mm-40 -57.22 108.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.822 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.0 mm -123.97 106.63 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.003 0.43 . . . . 0.0 111.235 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.47 106.25 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.22 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -72.84 111.08 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.763 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.529 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -83.25 22.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 178.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.14 -25.26 8.44 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.509 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 4.7 p30 -145.18 8.53 1.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.988 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.97 23.54 67.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.959 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.531 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 50.1 t80 -83.58 92.55 7.67 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 117.923 0.862 . . . . 0.0 111.154 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.037 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.71 128.78 1.38 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.762 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 10.6 pt-20 -61.81 141.28 58.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.572 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.7 tp -151.48 146.61 26.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -62.44 155.19 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.11 -13.36 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.08 -59.2 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.122 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -69.19 -16.91 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.92 -36.39 12.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.269 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.54 -19.14 40.34 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.316 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.06 -40.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 141' ' ' ILE . 40.8 t -73.44 -33.85 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.5 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -66.58 -46.98 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.738 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.627 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -71.59 -44.21 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.528 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.53 -52.07 63.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.291 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 4.9 m-85 -55.54 -35.07 65.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.57 -39.39 93.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 95.4 mt -62.89 -45.26 93.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.993 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.54 94.76 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.222 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -75.21 -46.26 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 0.0 111.174 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 117' ' ' LEU . 2.4 tm? -56.84 -34.55 67.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.571 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.569 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.03 -15.97 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.467 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 104' ' ' LEU . 2.2 pp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 118' ' ' ILE . 18.1 mm -48.92 -28.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -46.23 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.981 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -61.78 -37.36 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.432 -179.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.423 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 10.0 t80 -57.23 -50.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -64.05 -34.2 77.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.62 -56.74 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 65' ' ' TYR . 61.9 tp -61.84 -47.4 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.6 -37.03 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.35 78.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.679 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 71.6 t80 -71.59 -25.78 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.513 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.2 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.653 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.51 -21.97 66.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.58 -13.32 67.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 27.1 m-70 -71.41 144.92 89.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.565 0.221 . . . . 0.0 111.003 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 33.6 Cg_exo -61.8 -13.72 32.19 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 111.834 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -118.34 21.14 12.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.778 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -40.5 -45.35 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.451 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -54.07 -44.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.564 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -72.49 -39.72 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.749 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 91' ' ' ALA . 95.8 mt -62.05 -54.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.451 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -64.66 -36.16 83.37 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 15.6 ptm180 -74.77 -23.5 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 109.954 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -73.07 -36.6 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.884 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -90.94 -11.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.966 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 CA--C 1.519 -0.256 0 CA-C-O 121.133 0.389 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 61' ' ' ASP . 20.8 t -127.24 136.17 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.283 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 72.9 p -139.84 139.82 36.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -91.16 174.3 7.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -157.03 166.56 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.8 tp -99.05 117.99 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.1 p -85.33 152.57 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.273 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.16 159.8 0.42 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.307 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -77.04 -25.12 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.423 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.05 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.668 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -113.88 -18.17 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 0.0 111.258 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.708 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.5 ptm180 -66.59 -21.4 66.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.55 -19.49 55.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.465 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 25.1 t70 -104.63 -19.36 14.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 64' ' ' PHE . 24.6 t80 -65.52 -43.49 89.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -59.27 -54.32 57.35 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.54 -18.83 33.06 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.138 1.892 . . . . 0.0 112.407 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -81.65 -33.15 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.917 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -103.87 -18.74 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -112.73 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.025 0.441 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.02 137.68 3.86 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 19.2 Cg_endo -58.68 -12.63 14.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.425 2.083 . . . . 0.0 112.012 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.562 HH21 ' HE ' ' A' ' 33' ' ' ARG . 6.4 tpt180 -101.95 -39.11 7.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.485 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 10.2 mp -71.06 -28.69 64.55 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.36 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ptm -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.742 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HE ' HH21 ' A' ' 29' ' ' ARG . 99.8 mtt180 -64.9 -22.83 67.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -99.55 -41.28 2.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.56 -41.48 85.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -28.34 62.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.603 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -72.67 -42.49 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 0.6 OUTLIER -64.75 -41.19 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.785 -179.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -26.75 59.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.5 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -63.7 -44.69 92.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.752 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.2 m95 -69.71 -31.69 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.426 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 8.3 tpt -64.99 -51.4 61.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.807 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.5 ptt180 -61.08 -13.28 15.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -88.78 -28.43 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.703 HD22 ' HA ' ' A' ' 78' ' ' VAL . 35.4 mt -76.91 -28.18 55.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.716 ' HB2' HD13 ' A' ' 76' ' ' ILE . 43.6 t -126.58 130.6 50.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.698 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -76.53 -23.35 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.06 0.457 . . . . 0.0 110.2 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.518 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mmm180 -105.61 47.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.921 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.605 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -118.09 97.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.108 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.567 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -83.24 -71.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.844 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.05 165.45 31.2 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.86 33.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.827 0.346 . . . . 0.0 111.573 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.68 94.69 9.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 64.6 m95 -75.96 80.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.129 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 82.2 m-70 -53.24 146.3 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.375 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 23.2 m-85 -92.37 129.29 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 11' ' ' SER . 47.2 m-85 -114.76 140.09 49.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.439 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.31 101.49 11.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.572 ' HB3' ' H ' ' A' ' 62' ' ' GLY . 10.0 mt -74.68 145.15 43.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.2 m -70.8 -25.5 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.258 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 8' ' ' VAL . 6.6 m-20 -153.44 14.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -116.84 11.65 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.457 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.06 -82.83 1.21 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.132 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.676 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 31.6 p90 179.61 142.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -132.36 149.08 52.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.438 ' SD ' HG11 ' A' ' 38' ' ' VAL . 59.3 mtp -104.71 133.84 48.87 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.396 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -129.81 130.6 23.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.955 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 54' ' ' TRP . 44.0 Cg_endo -67.63 159.81 50.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.429 2.086 . . . . 0.0 111.762 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.62 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.9 t70 -100.73 84.23 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.542 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -138.25 110.78 7.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.61 112.89 24.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.98 -156.3 25.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.632 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -106.55 111.82 24.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.044 0.45 . . . . 0.0 110.73 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 70' ' ' LEU . 72.7 mt -99.03 132.48 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.079 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 9.6 pt-20 -85.51 93.21 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.666 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.716 HD13 ' HB2' ' A' ' 46' ' ' CYS . 4.1 mm -109.32 105.04 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.51 104.25 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.895 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.703 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.15 110.0 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.503 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -33.92 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.112 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.63 -33.08 8.53 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.798 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.491 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.6 p-10 -133.4 8.58 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.63 52.06 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.485 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 46.7 t80 -89.13 112.42 23.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.484 0.642 . . . . 0.0 111.312 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -96.47 112.79 24.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.85 130.26 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.04 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 38.6 mt-10 -71.1 124.57 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.557 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 91' ' ' ALA . 3.0 mm? -127.89 164.43 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.0 p -84.55 156.35 21.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.879 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -52.37 -28.36 19.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.54 -56.65 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.283 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' A' ' 87' ' ' LEU . . . -67.31 -15.68 63.83 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.89 -36.66 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -60.94 -14.68 39.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.566 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 128' ' ' ALA . 3.8 mm -74.16 -40.86 51.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.081 0.467 . . . . 0.0 110.603 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 141' ' ' ILE . 61.5 t -76.61 -27.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.819 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' HG23 ' A' ' 38' ' ' VAL . . . -72.87 -50.5 23.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.6 ' HA ' ' HB ' ' A' ' 38' ' ' VAL . 5.6 t -69.86 -41.23 75.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.663 0.268 . . . . 0.0 111.082 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 124' ' ' LEU . 20.2 mt -56.44 -50.79 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.499 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HE1' HG22 ' A' ' 141' ' ' ILE . 5.9 m-85 -57.79 -31.4 66.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.709 0.29 . . . . 0.0 111.36 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.99 -41.3 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.07 -41.17 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.413 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.27 77.08 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.593 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 37' ' ' LEU . 21.9 tt0 -77.98 -48.67 15.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.966 0.383 . . . . 0.0 111.551 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 37' ' ' LEU . 83.3 mt -60.01 -40.32 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.434 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -62.03 -34.74 76.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.99 -9.22 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.475 -179.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 117' ' ' LEU . 15.4 mm -63.46 -31.96 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -43.7 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.831 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 10.4 mpt_? -56.79 -37.61 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.957 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -70.28 -51.66 28.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -52.05 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.686 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.629 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 23.5 m-85 -88.36 -50.76 6.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.087 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' ' 98' ' ' LEU . 4.3 tt -49.84 -56.14 11.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.432 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.651 ' NH1' HD11 ' A' ' 141' ' ' ILE . 21.4 ttt85 -46.79 -40.6 13.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.36 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.17 -34.17 88.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.51 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 76.1 t80 -69.92 -35.03 74.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.05 -18.36 63.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.27 -26.94 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.029 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.89 -3.21 90.66 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.249 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.0 151.9 67.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.583 0.23 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.42 -18.42 49.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.566 2.178 . . . . 0.0 112.026 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.77 16.68 21.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.566 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.77 -44.99 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.139 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -54.48 -44.69 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.548 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.674 ' HA ' ' NE ' ' A' ' 139' ' ' ARG . . . -70.57 -36.02 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.5 mt -67.33 -51.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -66.64 -35.4 80.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 136' ' ' ALA . 40.5 ptt180 -74.14 -33.16 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.105 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.65 -30.45 71.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 95' ' ' VAL . 42.6 pt -96.96 -15.59 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 CA--C 1.518 -0.297 0 CA-C-O 121.123 0.385 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -127.27 140.08 50.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.257 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.5 p -146.44 142.69 28.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -87.35 171.44 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -155.01 167.66 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.66 HD11 ' NH2' ' A' ' 18' ' ' ARG . 13.5 tp -92.27 129.29 38.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 58' ' ' ALA . 16.6 t -89.5 153.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.328 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -59.49 145.22 44.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.922 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -63.7 -26.41 68.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.485 -179.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.01 -9.49 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -111.72 -14.55 13.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' NH2' HD11 ' A' ' 12' ' ' LEU . 16.1 mtt180 -66.33 -32.47 73.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.27 -23.16 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.646 ' N ' HD12 ' A' ' 19' ' ' LEU . 8.2 t70 -115.74 -8.23 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.292 . . . . 0.0 111.407 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.66 -35.1 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.755 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 1.1 mm? -65.41 -54.97 27.69 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 37.2 Cg_endo -66.71 -8.45 21.24 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.948 1.766 . . . . 0.0 111.591 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.87 -45.69 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.316 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HE2' ' HA2' ' A' ' 62' ' ' GLY . 11.1 m-85 -97.75 -36.97 10.05 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.87 -44.94 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 110.077 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.9 148.17 5.42 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.09 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 15.0 Cg_endo -56.75 -23.45 49.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.432 2.088 . . . . 0.0 112.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -95.65 -46.44 6.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.379 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 26' ' ' PHE . 82.5 mt -65.59 -27.29 68.31 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.471 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -33.79 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.706 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.8 ptp -105.58 -37.98 6.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 0.0 110.446 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 4.5 mmp_? -66.3 -15.35 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -106.38 -43.64 1.45 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.365 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.706 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.6 pt-20 -56.4 -34.12 66.42 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.93 65.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD21 ' HG2' ' A' ' 103' ' ' GLN . 9.6 mt -70.31 -41.43 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.9 m -63.91 -39.97 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -78.25 -28.4 47.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -59.38 -47.26 86.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.8 m95 -70.83 -33.53 70.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 2.4 tpt -59.04 -37.47 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 17.2 ptm180 -84.54 -13.13 52.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 53.6 mtp180 -83.92 -10.21 58.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.633 ' HB2' HD12 ' A' ' 76' ' ' ILE . 21.7 mt -93.16 -18.64 22.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.66 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.5 t -146.45 120.18 9.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.414 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -26.28 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.183 0.516 . . . . 0.0 110.045 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -91.77 41.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -117.16 98.82 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -82.77 -17.41 44.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.3 139.3 10.46 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.84 -158.9 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.728 0.299 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -92.91 99.56 12.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.504 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -80.78 80.46 7.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.001 -179.379 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.496 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 86.6 m-70 -50.33 148.09 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.352 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HE1' ' HE3' ' A' ' 66' ' ' MET . 14.5 m-85 -91.77 133.15 35.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.072 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -117.88 141.93 47.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.698 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB2' HG22 ' A' ' 13' ' ' VAL . . . -106.7 93.33 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.0 mt -66.15 146.8 54.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 t -68.82 -19.27 64.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.584 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -88.87 -32.27 17.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HE2' ' A' ' 25' ' ' TYR . . . 111.14 34.17 2.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.3 -42.93 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.431 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 7.1 t80 63.51 114.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.969 0.414 . . . . 0.0 111.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -130.33 146.94 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.447 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 73.1 mtp -104.73 132.84 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.99 125.13 23.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.464 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HG3' ' HD1' ' A' ' 54' ' ' TRP . 35.2 Cg_exo -59.29 157.14 31.82 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 111.786 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 27.9 t70 -100.84 83.91 2.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.402 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -142.52 115.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.689 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.48 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.516 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.24 -166.99 27.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.754 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -94.43 106.33 18.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 70' ' ' LEU . 57.6 mt -100.46 109.35 21.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.375 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.46 95.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.086 0.47 . . . . 0.0 110.323 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -111.36 110.75 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.783 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -85.53 105.12 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.179 0.514 . . . . 0.0 109.985 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 140' ' ' ALA . 23.4 t -72.7 95.04 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.413 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -64.66 -34.09 77.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.779 0.323 . . . . 0.0 110.723 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.06 -29.44 0.2 Allowed Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.315 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.562 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 p30 -153.64 14.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 0.0 111.317 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.06 19.01 73.44 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.79 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 49.3 t80 -83.75 93.01 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.215 0.507 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -80.49 109.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.983 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.85 116.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.457 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.74 124.75 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.3 tp -138.48 178.38 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.131 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -80.85 160.07 24.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.717 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -60.84 -23.04 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.04 -59.28 2.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.35 -12.49 60.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -92.54 -34.46 14.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.024 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.538 ' O ' HG22 ' A' ' 97' ' ' THR . . . -65.18 -18.51 65.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.363 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mm -68.37 -43.44 84.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.085 0.469 . . . . 0.0 110.186 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 141' ' ' ILE . 37.5 t -76.19 -23.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -74.03 -47.5 36.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.474 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 65' ' ' TYR . 7.1 t -75.85 -43.09 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.635 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.95 -51.03 59.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.531 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.2 m-85 -58.77 -32.66 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.72 -43.66 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.42 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 72.2 mt -56.38 -41.09 75.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.44 -30.98 73.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.668 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' HD21 ' A' ' 37' ' ' LEU . 3.1 tp-100 -71.76 -49.61 37.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.498 HD12 HD22 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -59.72 -46.39 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.17 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.506 ' CA ' HD21 ' A' ' 117' ' ' LEU . . . -65.04 -10.69 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.45 -25.34 12.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 16.2 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 105' ' ' ALA . 1.8 pp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.5 mm -50.03 -31.34 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.451 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.2 -45.27 68.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 11.0 mpt_? -57.11 -34.35 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.42 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 22.0 t80 -70.64 -47.46 59.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.32 -33.5 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.31 -51.76 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.9 tt -52.02 -54.59 28.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.318 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 121' ' ' TYR . 39.1 ttm180 -44.79 -40.3 5.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.592 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.85 -36.92 93.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.703 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 85.6 t80 -70.62 -33.01 70.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 131' ' ' HIS . . . -61.51 -25.31 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . . . -73.17 -26.74 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.39 -7.55 84.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.39 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 8.1 m-70 -70.0 152.15 95.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.614 0.245 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.89 -4.36 11.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.515 2.143 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -134.15 27.31 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.309 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 138' ' ' TYR . . . -41.62 -42.85 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.976 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.42 94.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.319 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.24 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.969 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 141' ' ' ILE . 53.5 mt -77.82 -27.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.618 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' ' 134' ' ' ALA . 1.2 t80 -69.85 -47.42 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.933 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 ptm180 -76.71 -26.69 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.444 ' HA ' HG11 ' A' ' 78' ' ' VAL . . . -66.91 -36.8 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.645 HG22 HG13 ' A' ' 95' ' ' VAL . 38.0 pt -93.79 -15.47 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.961 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' THR . 58.5 Cg_endo . . . . . 0 C--O 1.231 0.157 0 N-CA-C 113.403 0.501 . . . . 0.0 113.403 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.544 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 30.4 t -45.21 124.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.91 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 7' ' ' PRO . 65.2 p -139.41 140.05 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.402 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.69 162.97 19.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 111.316 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -150.12 155.88 40.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.5 tp -85.6 137.11 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.6 135.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -41.56 146.54 0.22 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.5 pt-20 -63.71 -23.97 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.956 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 -2.45 37.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -111.0 -20.96 12.23 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.236 0.541 . . . . 0.0 110.449 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.598 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 15.6 ptp180 -71.83 -17.05 62.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.661 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -77.7 -29.95 51.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.243 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 19' ' ' LEU . 27.4 t70 -107.0 -20.0 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.691 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 41.9 t80 -62.5 -26.63 68.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 26' ' ' PHE . 10.6 tp -73.75 -57.05 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 39.7 Cg_endo -68.18 -19.98 44.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.03 1.82 . . . . 0.0 112.519 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -92.32 -41.51 10.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -97.36 -45.63 6.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.46 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.7 t80 -77.49 -44.41 28.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.346 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.889 ' HA3' HD13 ' A' ' 30' ' ' LEU . . . 127.48 146.54 6.42 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.258 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.35 -12.21 34.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.507 2.138 . . . . 0.0 111.229 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.5 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -123.91 30.06 6.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 ' HA3' ' A' ' 27' ' ' GLY . 5.7 mp -138.95 -36.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.104 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.506 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -41.99 -49.24 4.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.294 179.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.2 ptm -88.46 -39.1 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.561 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 104' ' ' LEU . 19.3 mmm180 -55.43 -32.79 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.187 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.625 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -100.62 -36.74 3.93 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.192 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.56 -50.36 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.351 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -68.93 -31.58 70.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.998 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.802 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -65.9 -42.42 90.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.64 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.7 m -72.82 -39.75 59.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -73.03 -31.58 64.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.833 -179.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -57.54 -49.39 76.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 110.116 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.521 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -64.67 -36.04 82.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.838 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.5 tpt -61.23 -49.16 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.768 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 4.5 ppt_? -68.97 -9.92 54.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.41 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.8 mtp180 -89.72 -17.28 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.719 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 76' ' ' ILE . 12.2 mt -83.48 -23.17 32.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.7 t -131.61 135.07 46.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.944 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.662 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.2 pt-20 -79.71 -19.02 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 110.139 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 42.1 mtm180 -112.53 47.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.572 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.3 t80 -113.46 93.3 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.787 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -80.98 -0.58 40.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.33 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.42 15.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.24 174.46 2.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.663 0.268 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.21 96.62 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.84 78.55 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' HB3' HD11 ' A' ' 12' ' ' LEU . 82.3 m-70 -51.91 127.3 20.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.963 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.598 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.8 m-30 -73.88 131.47 41.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.302 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 40.7 m-85 -118.43 138.72 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.074 0.464 . . . . 0.0 111.675 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.72 97.5 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 8' ' ' VAL . 9.9 mt -72.24 151.4 42.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 92.6 p -62.94 -27.09 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.26 -29.44 31.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.24 15.38 17.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.289 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -71.65 -40.8 58.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.45 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE2' ' HB3' ' A' ' 56' ' ' TYR . 43.4 t80 62.92 113.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.913 0.387 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 1.1 p90 -125.39 144.44 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.637 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.66 129.58 53.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.268 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -124.41 130.19 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.115 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 42.7 Cg_endo -67.72 159.54 52.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.515 2.143 . . . . 0.0 111.936 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.38 86.79 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 53.3 mt -144.28 101.79 3.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.835 0.35 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 143.15 30.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.493 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.31 177.79 24.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.736 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -82.43 121.61 26.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.143 0.497 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 pt? -129.57 123.66 31.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.782 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.6 pt-20 -66.84 112.9 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -124.91 109.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.76 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.2 pt-20 -81.2 112.82 18.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.331 0.586 . . . . 0.0 110.486 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 140' ' ' ALA . 21.6 t -79.34 90.92 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.337 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' ND2' HD23 ' A' ' 45' ' ' LEU . 8.1 p30 -63.69 -31.62 72.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.53 -30.8 0.93 Allowed Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 113.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.55 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.9 p30 -150.43 14.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.157 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.73 72.28 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.126 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.55 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 47.7 t80 -86.98 94.07 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -78.44 107.34 11.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.006 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.05 131.5 2.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.275 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.5 mt-10 -63.41 139.76 58.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 14.9 tp -153.0 140.13 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -61.98 160.34 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.29 -19.7 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.652 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.5 -60.4 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.63 -19.83 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.243 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.35 -36.64 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.81 -17.5 54.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.422 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -73.62 -38.25 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 141' ' ' ILE . 46.2 t -77.18 -26.46 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.351 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.534 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.93 -45.7 60.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.513 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.6 t -74.5 -43.43 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.807 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.1 mt -53.9 -54.5 37.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.644 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 7.1 m-85 -55.21 -30.74 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.502 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.87 -41.5 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.393 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 96.3 mt -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.86 -35.92 92.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.657 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.5 -48.81 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.942 0.371 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 33' ' ' ARG . 20.1 tp -57.91 -24.76 59.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.635 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -76.96 -35.61 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.99 -6.02 54.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.432 -179.684 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 105' ' ' ALA . 2.3 pp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.222 0.534 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 118' ' ' ILE . 16.3 mm -51.91 -27.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.471 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -42.86 65.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.728 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.522 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 3.2 mpt_? -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.7 t80 -66.05 -48.67 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -55.98 -33.64 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -80.84 -55.65 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 65' ' ' TYR . 2.9 tt -48.92 -59.68 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -45.24 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.94 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.68 72.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.844 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 72.2 t80 -66.29 -35.63 80.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -62.06 -20.35 63.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.316 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.31 68.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.02 -4.88 88.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.278 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 24.4 m-70 -83.73 146.11 48.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.13 -9.17 22.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.721 2.281 . . . . 0.0 112.435 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -119.62 19.74 12.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -45.8 -42.71 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -52.48 -43.3 64.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.578 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.01 -33.1 59.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.437 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -70.5 -51.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.35 -33.39 75.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.55 0.214 . . . . 0.0 111.414 -178.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -75.58 -33.04 60.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.37 -31.67 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.498 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.545 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . 2.8 pp -98.26 -10.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.895 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 CA--C 1.518 -0.325 0 CA-C-O 121.218 0.424 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.521 HG21 ' OD2' ' A' ' 61' ' ' ASP . 55.7 t -90.85 130.52 39.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.624 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 54.2 p -148.62 138.83 22.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.873 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -78.33 -177.31 5.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 35.1 t -159.5 155.8 27.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.15 116.68 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.89 152.16 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.151 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.25 157.91 1.29 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.08 -28.21 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.95 -6.47 38.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.408 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.8 mm-40 -109.7 -16.12 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.551 HH22 ' HA ' ' A' ' 55' ' ' HIS . 17.6 ptm180 -73.91 -25.88 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.643 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.4 pp -70.4 -25.9 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.133 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' N ' HD12 ' A' ' 19' ' ' LEU . 13.0 t70 -104.24 -17.91 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.513 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.0 t80 -66.34 -37.38 85.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.4 tp -61.23 -56.43 34.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.276 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 37.2 Cg_endo -66.16 -14.86 46.21 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.851 1.701 . . . . 0.0 110.977 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 1.7 m -72.25 -36.56 69.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.832 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CD2' HG22 ' A' ' 24' ' ' THR . 67.9 m-85 -119.49 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.951 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -40.12 -41.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.549 178.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.535 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 116.05 141.07 7.12 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.299 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 18.4 Cg_endo -58.98 -13.55 19.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.462 2.108 . . . . 0.0 111.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.74 -41.84 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.427 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.3 mp -68.11 -30.33 69.46 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -33.32 -35.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.553 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.5 ptp -103.68 -35.99 8.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.418 . . . . 0.0 110.24 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 23.2 mmm180 -70.12 -12.5 61.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.397 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.4 -45.14 1.01 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.654 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.8 pt-20 -58.29 -34.54 70.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.22 -29.69 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.593 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.675 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -73.6 -36.7 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.1 m -69.9 -40.9 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -23.6 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -62.35 -40.7 97.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.4 m95 -75.73 -32.84 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.3 tpt -60.17 -47.2 86.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.361 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -67.13 -15.09 63.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.1 mtt180 -82.53 -19.22 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.1 0.476 . . . . 0.0 110.489 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HB3' HG23 ' A' ' 76' ' ' ILE . 17.9 mt -82.24 -29.51 31.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.705 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.746 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 51.4 t -128.65 141.06 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.699 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.86 -21.77 37.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -115.83 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 4.0 t80 -111.1 94.76 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.31 -60.23 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.63 -173.27 43.27 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.658 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -174.99 177.34 1.98 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -91.34 97.79 11.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.426 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.76 79.35 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.551 ' HA ' HH22 ' A' ' 18' ' ' ARG . 94.7 m-70 -48.46 142.3 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.365 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 15.6 m-30 -84.94 128.57 34.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.405 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 45.2 m-85 -119.04 140.58 49.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.536 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.53 109.22 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.978 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 124' ' ' LEU . 9.7 mt -85.46 149.6 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.486 ' OG ' HG13 ' A' ' 8' ' ' VAL . 99.9 p -71.02 -25.28 62.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.428 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD2' HG21 ' A' ' 8' ' ' VAL . 14.7 m-20 -71.48 -33.45 69.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.155 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.29 14.37 10.85 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.15 -48.8 4.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 49.6 m-85 64.77 126.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.668 ' HB2' HG21 ' A' ' 97' ' ' THR . 5.1 p90 -140.84 168.57 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 111.504 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.441 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 23.5 mtm -124.5 146.91 48.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -137.21 125.42 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 47.8 Cg_exo -56.12 162.21 7.75 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 30.4 t70 -105.28 88.57 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.508 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.75 HD13 HD22 ' A' ' 74' ' ' LEU . 21.8 mt -138.6 109.58 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.85 107.64 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.61 -159.84 27.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.613 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -107.48 110.7 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.709 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.75 HD22 HD13 ' A' ' 70' ' ' LEU . 2.7 mp -115.91 116.2 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.1 106.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -117.34 108.39 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -80.35 116.78 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.135 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 140' ' ' ALA . 18.6 t -88.08 93.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.395 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.79 -35.46 80.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.47 -27.87 0.17 Allowed Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.45 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.563 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.6 p30 -150.66 13.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.938 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.88 17.04 69.02 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 35.2 t80 -78.71 87.02 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -74.7 106.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.557 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.35 148.67 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.279 . . . . 0.0 110.27 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 8.0 tp -160.92 148.31 15.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.884 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -68.52 158.42 33.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.66 -8.77 4.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.439 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.59 -56.32 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.222 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -77.0 -10.26 59.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.92 -36.04 10.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.807 0.337 . . . . 0.0 110.421 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.44 -20.51 51.47 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.143 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.2 -41.01 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 141' ' ' ILE . 21.3 t -73.06 -33.36 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.166 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.72 -46.42 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.854 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.585 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 141' ' ' ILE . 25.0 mt -57.3 -50.48 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 5.2 m-85 -57.55 -29.49 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.495 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.03 86.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.329 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 88.6 mt -57.91 -41.85 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.314 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.83 -13.6 69.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.487 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 37' ' ' LEU . 25.4 tt0 -91.21 -45.28 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.952 0.376 . . . . 0.0 111.35 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' A' ' 37' ' ' LEU . 89.5 mt -63.35 -34.13 77.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.592 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -64.14 -38.8 92.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.76 -9.15 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.615 0.245 . . . . 0.0 111.358 -179.51 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.618 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.877 0.37 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.3 mm -61.28 -21.28 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -46.33 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.941 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.598 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 10.7 mpt_? -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.077 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 31.6 t80 -54.43 -55.9 24.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -55.88 -30.27 61.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.598 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 18.2 m-85 -67.73 -58.38 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 59' ' ' LEU . 36.0 tp -59.05 -50.55 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -45.94 -37.34 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.325 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.33 89.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.847 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 29.9 t80 -69.22 -29.21 67.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.96 -19.31 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.839 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.55 49.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.59 -8.54 84.59 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.095 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -78.36 150.51 76.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.568 0.223 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.06 -21.95 62.64 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.487 2.125 . . . . 0.0 111.846 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.83 17.55 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.48 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.0 -48.74 4.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.211 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.93 -46.35 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.76 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.22 -38.32 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 91' ' ' ALA . 91.9 mt -66.68 -52.34 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.9 p90 -65.1 -36.1 83.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.76 -30.32 62.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.9 -34.37 78.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.689 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.584 HG22 HG13 ' A' ' 95' ' ' VAL . 49.9 pt -93.97 -13.37 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.984 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.963 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.166 0.403 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 61' ' ' ASP . 90.8 t -101.51 136.09 34.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.291 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.434 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 59.7 p -150.44 141.93 23.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -78.68 178.17 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.8 t -155.74 154.55 31.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.896 0.379 . . . . 0.0 111.235 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' NH2' ' A' ' 18' ' ' ARG . 17.7 tp -87.99 121.2 30.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.07 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.06 149.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.269 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -66.54 143.8 56.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -58.35 -31.33 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.645 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.99 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -113.15 -13.07 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.371 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 9.8 mtt180 -64.38 -34.18 77.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.885 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 20' ' ' ASP . 1.5 pp -63.65 -21.7 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.372 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.676 ' N ' HD12 ' A' ' 19' ' ' LEU . 31.7 t70 -111.71 -16.63 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.162 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 58' ' ' ALA . 19.6 t80 -63.31 -43.9 96.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -63.66 -52.73 56.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.637 -179.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.5 -17.66 34.06 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.027 1.818 . . . . 0.0 112.709 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -85.95 -39.19 17.18 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.49 -28.97 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -97.42 -41.16 8.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.663 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 137.27 138.82 3.8 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.166 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -58.94 -20.21 51.74 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.172 1.914 . . . . 0.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.18 -39.85 8.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.89 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.663 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.6 mm? -69.01 -29.3 67.46 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.542 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -32.06 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.627 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 26.2 ptt? -105.05 -34.68 7.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 0.0 110.395 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 3.6 mmp_? -66.97 -19.18 65.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -107.3 -42.61 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.385 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.712 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.0 tt0 -55.45 -36.27 66.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.92 -26.09 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.991 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -70.75 -39.99 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.907 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 3.5 m -68.64 -42.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.27 -22.17 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.12 -40.93 99.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.722 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.7 m95 -75.32 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 96' ' ' ALA . 34.5 tpp -62.04 -49.72 74.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.458 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -63.92 -17.79 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.389 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 66.9 mtp180 -81.5 -19.8 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB2' HD12 ' A' ' 76' ' ' ILE . 16.9 mt -88.58 -20.75 24.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.55 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.0 t -126.11 139.32 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.736 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.15 -22.93 30.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.155 0.502 . . . . 0.0 110.297 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -114.42 52.65 0.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.883 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.684 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -116.61 102.6 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.979 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -83.22 -67.09 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.54 176.02 41.16 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -167.14 167.42 14.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.895 0.379 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -93.18 96.65 10.15 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 52.6 m95 -75.71 84.17 2.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.768 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 84.9 m-70 -55.35 128.67 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.862 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -72.26 131.05 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.68 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 38.3 m-85 -118.58 140.73 49.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.73 105.47 14.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 124' ' ' LEU . 13.4 mt -83.72 147.82 27.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m -79.92 -0.82 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.568 ' HB2' HG11 ' A' ' 8' ' ' VAL . 43.6 t0 -99.13 -9.37 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.07 59.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.677 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 120' ' ' ARG . . . -81.03 -55.23 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.597 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 62.4 m-85 64.25 120.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.775 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.647 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -141.51 167.71 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.747 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.712 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 33.6 mtm -123.16 146.21 47.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.345 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' TRP . . . -137.36 137.29 22.0 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.315 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 33.6 Cg_endo -64.2 162.4 30.08 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.603 2.202 . . . . 0.0 112.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.635 ' C ' HD22 ' A' ' 70' ' ' LEU . 38.6 t70 -105.68 83.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -137.12 113.08 9.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.627 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.18 115.89 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.93 -152.95 20.91 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.727 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 9.9 mpt_? -111.46 117.67 33.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.474 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 70' ' ' LEU . 75.8 mt -102.97 116.44 32.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 39.6 tt0 -66.36 88.67 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.3 mm -109.15 106.81 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.563 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -82.88 119.38 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 45' ' ' LEU . 35.8 t -83.17 92.85 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.214 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -77.37 21.57 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.174 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -95.51 -19.62 29.37 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.485 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.2 p30 -156.27 12.03 0.28 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.758 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.84 79.75 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.72 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.426 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 55.1 t80 -91.45 96.18 10.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.423 0.611 . . . . 0.0 111.623 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -81.28 111.44 17.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.7 127.96 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.668 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.574 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 40.8 mt-10 -73.19 116.13 13.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mp -126.92 152.95 46.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.477 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.0 p -73.74 162.25 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.282 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.68 -15.95 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -83.11 -57.35 3.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 94' ' ' ILE . . . -71.45 -8.19 52.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.843 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.2 -31.41 10.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.586 ' O ' HG22 ' A' ' 97' ' ' THR . . . -64.85 -13.7 57.16 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.22 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 91' ' ' ALA . 4.1 mt -80.67 -54.9 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.607 HG22 HG23 ' A' ' 141' ' ' ILE . 60.4 t -62.07 -23.4 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' CE ' ' A' ' 42' ' ' MET . . . -75.75 -47.06 27.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.466 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.7 t -75.28 -35.52 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.419 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 101' ' ' LEU . 30.9 mt -62.61 -50.12 72.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.969 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 2.7 m-85 -57.4 -26.29 60.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.409 . . . . 0.0 110.737 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -76.08 -38.28 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD12 HD23 ' A' ' 98' ' ' LEU . 77.3 mt -58.08 -41.11 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.93 -28.09 72.27 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.267 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.605 ' NE2' HD11 ' A' ' 37' ' ' LEU . 21.8 tt0 -78.53 -47.71 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.955 0.377 . . . . 0.0 111.188 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.569 HD11 ' HA2' ' A' ' 34' ' ' GLY . 79.1 mt -60.25 -30.13 69.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.733 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -74.33 -34.34 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.899 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.24 -13.51 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.9 pp . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.38 -31.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.688 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -49.92 -47.53 52.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.253 179.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -54.46 -40.2 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.305 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.94 -56.98 15.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -57.28 -27.82 62.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.467 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 119' ' ' ASP . 23.1 m-30 -72.76 -54.38 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.412 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 HD11 ' A' ' 59' ' ' LEU . 58.3 tp -63.17 -46.64 86.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.433 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -45.13 -35.38 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.583 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.02 -30.74 60.75 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.665 -0.778 . . . . 0.0 113.343 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 64.3 t80 -71.19 -34.86 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 111.594 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.625 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -76.71 -15.32 59.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.701 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.29 59.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.545 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -94.98 8.98 70.46 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.714 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.434 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 3.0 m-70 -83.16 151.28 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.524 0.202 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD2' ' OE2' ' A' ' 133' ' ' GLU . 32.3 Cg_exo -58.4 -26.5 77.87 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.637 2.225 . . . . 0.0 112.306 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 131' ' ' HIS . 1.1 pm0 -110.55 15.8 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.62 -40.98 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -48.74 -47.41 41.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.691 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.52 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.291 . . . . 0.0 111.768 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.625 HG21 ' HB1' ' A' ' 128' ' ' ALA . 81.3 mt -67.93 -52.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 3.0 p90 -64.37 -35.59 81.38 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 ptp180 -73.48 -29.44 62.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.051 0.453 . . . . 0.0 109.88 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.74 -35.33 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.866 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.607 HG23 HG22 ' A' ' 95' ' ' VAL . 50.0 pt -89.14 -15.09 9.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.835 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 113.054 0.367 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG11 ' HB2' ' A' ' 61' ' ' ASP . 98.5 t -121.56 134.07 66.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.603 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.477 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.7 p -148.73 141.33 24.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.193 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.28 -178.76 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.3 t -158.63 162.7 37.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.92 124.17 40.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.57 151.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.53 155.34 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.012 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.93 -28.7 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.37 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.02 -4.28 49.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.509 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.1 mm-40 -114.71 -15.86 11.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 11.5 ptm180 -74.41 -24.82 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -67.53 -23.68 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 22.0 t70 -112.0 -15.51 13.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.207 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 18.5 t80 -65.06 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.161 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 13.0 tp -70.92 -55.28 6.82 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 43.5 Cg_endo -68.89 -15.34 40.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.987 1.792 . . . . 0.0 112.162 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -87.73 -40.85 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -107.31 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.5 t80 -92.93 -39.7 11.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.522 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 135.86 135.55 3.46 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.217 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 22.9 Cg_endo -61.29 -20.84 69.84 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.264 1.976 . . . . 0.0 111.507 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.712 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.7 tmt_? -97.01 -40.1 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.778 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 26' ' ' PHE . 8.2 mp -66.11 -34.38 77.92 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.522 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -31.73 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.029 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.614 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 21.9 ptp -101.32 -36.47 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.712 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 3.3 mmp_? -69.49 -12.7 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -107.61 -43.63 1.32 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.232 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.778 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 38.5 tt0 -61.32 -43.56 98.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.6 -31.85 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.246 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.549 HD22 ' HG ' ' A' ' 104' ' ' LEU . 8.8 mp -77.83 -42.72 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.679 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 97' ' ' THR . 40.2 t -57.95 -41.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 111.012 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.79 -23.88 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -65.62 -42.06 91.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.498 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.3 m95 -73.79 -30.78 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.431 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.588 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 5.5 tpt -64.23 -52.83 56.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.606 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 39' ' ' TYR . 7.2 ptp180 -58.5 -14.25 7.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.508 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -86.16 -38.37 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.469 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 76' ' ' ILE . 18.9 mt -59.81 -31.72 69.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.601 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 45.8 t -121.71 154.24 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 110.3 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -92.5 -17.7 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -114.03 7.53 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.945 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.5 t80 -65.75 91.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.401 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -73.91 -39.69 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.899 179.147 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.48 -177.17 32.79 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.11 176.89 2.02 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.37 95.5 10.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 111.222 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.13 77.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 92.0 m-70 -52.55 140.81 21.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.506 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.1 m-30 -83.49 135.17 34.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.338 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' SER . 49.4 m-85 -123.01 142.93 50.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.492 . . . . 0.0 111.543 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.54 109.1 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.9 mt -84.25 147.46 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -75.17 -8.82 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.698 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HB2' HG11 ' A' ' 8' ' ' VAL . 7.8 t0 -91.9 -28.66 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.824 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.6 16.05 9.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.76 -51.85 3.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 75.5 m-85 65.21 120.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.2 p90 -136.78 172.74 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.778 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 17.8 mtm -127.22 144.2 51.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.572 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -134.12 124.61 17.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 31.8 Cg_exo -58.47 161.88 13.51 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.558 2.172 . . . . 0.0 111.912 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.2 t70 -103.33 87.05 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.51 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 64.7 mt -140.33 113.04 8.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.803 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.92 159.84 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.246 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.91 -149.83 23.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.664 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -122.77 129.72 52.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.092 0.472 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -128.79 131.07 47.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.896 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 8.7 pt-20 -64.98 112.76 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.8 mm -123.72 104.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.857 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.743 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 42.2 mt-10 -81.68 128.22 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.454 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 80' ' ' GLY . 37.7 t -97.15 95.45 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.87 19.61 0.51 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.381 . . . . 0.0 110.82 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' H ' HG12 ' A' ' 78' ' ' VAL . . . -92.34 -17.89 44.46 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.462 HD21 ' HA ' ' A' ' 140' ' ' ALA . 8.5 p30 -160.03 13.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.699 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.03 16.33 80.63 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.477 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -85.17 92.97 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.126 0.463 . . . . 0.0 111.493 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.743 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 54.1 ttp180 -84.02 111.53 19.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.29 140.39 6.95 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.88 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.4 mp0 -74.41 135.64 42.39 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 tp -152.54 150.21 29.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.3 p -72.24 159.59 33.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.42 -11.72 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.234 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.01 -59.17 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.5 -10.7 59.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.08 -36.49 10.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.386 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.89 -19.61 50.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.294 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -67.33 -38.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 141' ' ' ILE . 59.5 t -81.83 -24.07 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.16 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -66.04 -48.64 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.72 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -80.75 -37.47 30.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.789 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 141' ' ' ILE . 2.0 tp -49.23 -54.21 17.77 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.008 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.17 -34.02 71.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 97' ' ' THR . . . -58.35 -43.15 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.602 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.5 mt -58.84 -41.02 85.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.808 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.06 72.88 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.097 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.3 tt0 -76.32 -46.58 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 0.0 111.048 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 37' ' ' LEU . 88.9 mt -58.07 -45.38 87.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.676 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.523 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -58.74 -34.47 71.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.31 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.806 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 18.4 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.222 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.625 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.97 0.414 . . . . 0.0 110.099 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.8 mm -60.68 -25.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.426 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -47.24 44.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.994 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 11.0 mpt_? -55.53 -38.78 69.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.97 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.75 -51.14 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.434 ' CD2' HG22 ' A' ' 118' ' ' ILE . 78.5 m-70 -60.99 -33.91 73.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 14.3 m-30 -64.9 -55.53 18.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.331 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.479 HD13 HD11 ' A' ' 59' ' ' LEU . 39.5 tp -64.88 -41.77 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.668 HH22 ' HB2' ' A' ' 138' ' ' TYR . 15.1 tpt180 -47.25 -35.49 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.361 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.93 -34.09 62.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.724 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 53.7 t80 -69.79 -26.56 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.754 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.11 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.724 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.01 55.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.968 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.74 -14.97 78.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -70.67 148.85 95.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.632 0.253 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.66 -9.01 24.9 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 111.396 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -119.31 21.58 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.116 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.57 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.27 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.742 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.77 77.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.88 -50.92 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.668 ' HB2' HH22 ' A' ' 125' ' ' ARG . 1.5 p90 -66.25 -36.32 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -72.37 -33.92 67.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.404 . . . . 0.0 110.232 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.62 -33.92 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.755 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.66 HG22 HG13 ' A' ' 95' ' ' VAL . 36.0 pt -91.24 -21.23 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.305 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.948 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo . . . . . 0 CA--C 1.52 -0.223 0 CA-C-O 121.275 0.448 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.84 HG13 ' HB3' ' A' ' 60' ' ' SER . 15.1 t -126.15 139.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 60' ' ' SER . 19.2 p -150.7 145.98 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.024 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -92.29 -177.48 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -166.46 147.68 6.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.85 122.93 20.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 t -85.34 154.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.69 154.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.17 -26.74 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.309 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.99 -5.55 50.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.421 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -113.69 -20.96 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 10.4 ptm180 -70.58 -17.09 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.6 pp -71.43 -24.29 62.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.63 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.4 t70 -111.36 -8.17 14.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.527 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t80 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.488 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 31' ' ' MET . 2.5 mm? -69.09 -57.43 7.51 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -66.59 -5.99 14.29 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.026 1.818 . . . . 0.0 111.744 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.9 m -94.98 -48.43 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.377 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -100.22 -34.96 9.8 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -88.84 -40.46 13.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.55 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 130.92 143.43 5.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 11.6 Cg_endo -55.13 -22.03 30.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.434 2.089 . . . . 0.0 111.821 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HE ' ' HG3' ' A' ' 33' ' ' ARG . 20.1 tpt180 -94.19 -48.71 6.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.308 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 104' ' ' LEU . 7.2 mp -65.83 -23.34 66.66 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.57 -39.02 0.43 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 27.0 ptm -106.03 -41.34 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' HE ' ' A' ' 29' ' ' ARG . 16.1 mmm180 -65.46 -15.02 62.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.972 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.583 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -105.49 -44.24 1.47 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.402 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 15.0 pt-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 109.898 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.37 -31.88 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.28 -38.96 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.024 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.9 m -69.13 -37.07 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.376 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.411 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -79.45 -24.97 42.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.885 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.58 -41.29 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.374 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -66.74 -33.31 75.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.2 tpp -62.13 -49.18 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -65.4 -14.35 60.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.625 0.25 . . . . 0.0 111.154 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -82.14 -21.2 36.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.176 0.512 . . . . 0.0 110.181 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.2 mt -82.91 -25.02 32.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.581 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 44.8 t -135.2 125.32 26.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HG2' ' HG2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -69.89 -19.71 63.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.035 0.445 . . . . 0.0 110.749 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 18.8 mmm180 -113.04 44.68 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.942 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.9 t80 -110.91 96.94 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.402 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -68.26 -68.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.08 -173.06 45.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.652 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.7 3.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.459 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 28.1 m-85 -85.83 96.82 9.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.093 0.473 . . . . 0.0 111.249 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.41 77.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.519 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.67 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.4 m-70 -56.02 136.53 52.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.229 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.696 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.0 m-85 -86.79 134.52 33.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 61.4 m-85 -122.87 144.91 48.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 111.819 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.63 101.16 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.502 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 1.1 mm? -58.55 156.02 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.389 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.84 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.7 t -63.43 -22.24 66.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 110.233 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -103.28 -42.47 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.03 9.0 2.0 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.755 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 120' ' ' ARG . . . -57.38 -38.68 88.11 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 23.8 t80 61.6 112.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p90 -124.18 144.07 50.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.421 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.489 ' SD ' HG21 ' A' ' 38' ' ' VAL . 77.2 mtp -104.63 131.9 51.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.068 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.62 127.74 24.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 50.7 Cg_endo -69.27 162.7 40.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.6 2.2 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t70 -101.27 90.18 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 75.8 mt -150.43 144.53 25.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.152 0.501 . . . . 0.0 111.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 170.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.447 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.51 172.24 40.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.871 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 74' ' ' LEU . 33.0 mmt180 57.15 87.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 73' ' ' ARG . 39.9 mt -136.73 121.71 18.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.679 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.53 110.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.757 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.67 112.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.026 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 9.1 pt-20 -82.66 120.24 25.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.193 0.52 . . . . 0.0 110.048 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 48.1 t -90.03 93.19 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.328 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.24 -31.59 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.57 -32.95 0.89 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.237 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -150.71 15.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.78 17.61 71.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 30.3 t80 -77.97 88.52 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -78.14 106.06 9.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.879 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.51 133.97 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.141 -1.028 . . . . 0.0 113.19 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.7 tp -160.01 158.07 29.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 111.284 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.0 p -77.56 158.55 29.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -25.41 60.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.413 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.36 -58.7 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -13.22 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.229 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.54 -36.81 16.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 97' ' ' THR . . . -62.78 -18.25 59.16 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.574 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.74 -44.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.158 0.504 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 141' ' ' ILE . 88.8 t -73.5 -24.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.382 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -73.35 -46.6 48.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.751 0.31 . . . . 0.0 111.345 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 93' ' ' GLY . 4.9 t -74.44 -44.94 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.39 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.591 HD13 HD13 ' A' ' 141' ' ' ILE . 24.4 mt -52.04 -49.32 63.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.4 m-85 -59.26 -34.93 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.228 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 121' ' ' TYR . 89.7 mt -59.11 -43.65 91.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.95 -23.18 74.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.883 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -80.6 -46.22 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.636 0.255 . . . . 0.0 111.141 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 30' ' ' LEU . 68.9 mt -58.05 -29.43 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -74.63 -28.57 60.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.64 -8.77 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.521 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.972 -179.839 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.301 0.572 . . . . 0.0 109.638 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.718 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.6 mm -70.12 -23.7 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.331 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -43.41 74.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.519 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.666 ' NE ' ' HA ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.8 -28.8 62.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.459 ' HA ' HD13 ' A' ' 101' ' ' LEU . 43.1 t80 -61.94 -48.46 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.701 0.286 . . . . 0.0 110.67 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -57.52 -33.08 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.717 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -71.42 -54.93 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.447 ' HB3' HD21 ' A' ' 98' ' ' LEU . 1.9 tt -53.58 -55.01 29.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.753 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -45.17 -36.09 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.923 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.18 -35.14 88.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.945 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 59' ' ' LEU . 41.6 t80 -65.06 -22.63 67.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.981 0.419 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.07 -7.3 59.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -97.51 25.16 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.244 0.545 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.77 -3.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.021 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -80.08 155.13 75.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.611 0.243 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.476 ' HB2' ' OE1' ' A' ' 133' ' ' GLU . 21.0 Cg_exo -64.79 -20.17 64.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.649 2.233 . . . . 0.0 111.735 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.476 ' OE1' ' HB2' ' A' ' 132' ' ' PRO . 2.3 mp0 -112.58 19.51 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.207 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -44.03 -48.63 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.506 ' HA ' ' CE2' ' A' ' 138' ' ' TYR . . . -48.21 -45.55 34.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.036 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.18 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.04 -52.49 48.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.506 ' CE2' ' HA ' ' A' ' 135' ' ' ALA . 2.8 p90 -65.12 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.93 -31.39 56.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.158 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.79 -32.11 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 98' ' ' LEU . 45.5 pt -97.54 -11.76 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.901 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.025 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 CA--C 1.518 -0.298 0 CA-C-O 121.26 0.442 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 59' ' ' LEU . 4.4 t -98.35 129.82 48.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.566 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 p -145.5 139.36 26.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.87 -178.8 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 37.2 t -159.7 148.59 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.809 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.22 120.4 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.195 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 14' ' ' ALA . 47.4 t -80.1 156.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -58.95 159.72 6.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.21 -30.56 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.27 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -121.47 -19.6 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.687 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.2 ptm180 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.537 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.7 -21.95 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.7 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.51 -11.76 13.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.828 0.347 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -72.76 -44.07 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.65 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -56.69 -52.67 71.82 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 54.4 Cg_endo -69.96 -19.84 34.65 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.078 1.852 . . . . 0.0 111.77 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 m -76.68 -36.08 57.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.621 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.484 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -107.53 -40.62 5.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 133.88 141.87 4.6 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.0 -13.1 21.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.396 2.064 . . . . 0.0 112.211 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.6 mmm-85 -103.24 -45.89 4.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.2 mp -59.8 -31.8 70.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.328 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.62 -35.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 21.7 ptm -99.7 -34.0 10.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.486 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 79.5 mtp180 -68.02 -17.36 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.43 -41.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.679 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.3 tt0 -58.65 -42.88 89.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.52 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -74.84 -23.98 58.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.379 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.622 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -78.2 -34.33 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.342 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 34' ' ' GLY . 6.2 m -71.66 -39.77 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -79.44 -23.07 43.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.616 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -61.93 -41.15 97.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.607 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.3 m95 -78.39 -27.32 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.532 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.2 tpt -67.93 -46.07 72.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.063 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.526 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 10.6 ptm180 -67.26 -20.15 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 111.272 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.19 -52.68 9.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.029 0.443 . . . . 0.0 110.421 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 78' ' ' VAL . 32.1 mt -48.99 -20.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.362 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.648 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -137.41 120.07 16.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -65.63 -25.89 67.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.052 0.453 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.531 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 41.3 mmt180 -103.0 45.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -116.07 98.01 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.958 -179.391 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -76.45 -53.8 7.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.915 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.01 -178.53 44.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.418 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.95 171.34 7.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 111.357 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 19.8 m-85 -89.05 93.27 9.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.316 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.37 77.53 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -48.88 137.27 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.313 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 16.6 m-85 -81.76 127.11 32.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.589 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 41.5 m-85 -120.99 141.53 50.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.58 113.32 23.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.033 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' GLY . 11.3 mt -88.46 149.75 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.2 m -65.55 -26.67 67.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.617 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.49 5.83 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.247 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.34 4.87 87.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -90.01 35.67 3.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.25 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 40.4 p90 -36.14 143.33 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.49 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' HG21 ' A' ' 97' ' ' THR . 8.6 p90 -137.61 172.05 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.627 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.424 ' CE ' HG21 ' A' ' 38' ' ' VAL . 65.6 mtp -122.44 143.78 49.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.33 128.05 13.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.152 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 31.1 Cg_endo -64.48 165.26 20.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.582 2.188 . . . . 0.0 111.808 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 12.0 t70 -122.26 78.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.503 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 71.7 mt -118.05 -179.44 3.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.389 0.614 . . . . 0.0 111.315 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.99 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.01 138.17 13.7 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.635 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 53.72 99.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 70' ' ' LEU . 21.9 mt -121.11 130.54 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.1 tt0 -61.46 98.31 0.08 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.631 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -121.62 106.37 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.197 0.522 . . . . 0.0 110.816 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.4 pt-20 -90.79 133.75 34.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.335 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -105.96 103.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.535 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.6 m-80 -59.98 -33.14 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.49 . . . . 0.0 109.881 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.26 -37.27 3.25 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 113.308 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.508 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -143.17 16.64 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.96 27.62 57.05 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 114.683 0.633 . . . . 0.0 114.683 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 63.1 t80 -88.45 98.27 11.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.021 0.91 . . . . 0.0 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 5.6 mpt_? -86.14 119.12 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.9 146.15 10.57 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.822 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 38.9 mt-10 -86.23 106.01 17.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.72 0.295 . . . . 0.0 110.491 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -117.74 147.91 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.7 p -65.31 159.04 24.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.99 -14.73 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.425 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -82.84 -57.39 3.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -72.83 -14.85 61.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.65 -35.14 14.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.198 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.714 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -58.55 -20.05 44.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.935 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -67.14 -39.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.275 0.559 . . . . 0.0 109.699 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 141' ' ' ILE . 56.0 t -76.79 -29.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.341 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.587 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.52 -46.82 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.608 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -74.29 -42.41 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.565 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 141' ' ' ILE . 31.5 mt -53.6 -51.6 62.52 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.61 -28.86 64.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.738 0.304 . . . . 0.0 111.346 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.39 -36.82 77.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.648 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 93.6 mt -62.68 -44.27 96.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.044 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.23 -34.48 90.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.97 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.31 -42.28 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.09 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.33 -44.16 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -62.28 -35.68 79.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.439 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.72 -15.89 40.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.792 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.63 ' C ' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.409 ' N ' HD22 ' A' ' 117' ' ' LEU . 16.0 mm -58.52 -21.3 17.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.609 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -43.75 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.768 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 6.5 mpt_? -61.93 -37.93 86.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.418 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 29.6 t80 -54.86 -52.86 61.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -54.59 -33.56 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.593 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 25.3 m-85 -67.46 -57.7 6.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 98' ' ' LEU . 55.4 tp -56.69 -52.96 62.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -47.82 -29.33 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.551 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.86 -27.63 45.33 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -73.38 -36.38 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -64.66 -12.71 49.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.394 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.74 -19.16 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.98 -5.41 64.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.319 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 21.2 m-70 -79.28 150.13 73.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.517 0.199 . . . . 0.0 110.911 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.563 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 45.1 Cg_exo -56.74 -35.87 98.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.449 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.563 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 8.3 mp0 -98.54 20.02 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.84 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.543 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.66 76.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.629 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 91' ' ' ALA . 97.1 mt -64.96 -52.14 57.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.4 -35.94 81.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.483 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.85 -30.89 62.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 110.027 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.71 -34.4 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.615 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.619 HD13 HD13 ' A' ' 98' ' ' LEU . 45.7 pt -94.78 -16.22 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.913 -179.783 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo . . . . . 0 CA--C 1.52 -0.22 0 CA-C-O 121.182 0.409 . . . . 0.0 112.819 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.491 HG11 ' OD2' ' A' ' 61' ' ' ASP . 58.9 t -99.49 128.69 50.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.268 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.41 140.93 25.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -79.65 177.06 9.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.3 t -155.49 155.64 33.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -89.32 117.94 28.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 14' ' ' ALA . 17.4 t -79.0 157.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -57.22 159.72 4.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.078 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.54 -30.86 61.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.97 0.11 55.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.381 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 24.0 mm-40 -119.24 -18.81 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 111.077 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -67.12 -28.24 67.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.304 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -77.37 -21.72 52.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.712 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -96.12 -15.46 22.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.069 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' O ' ' HB ' ' A' ' 24' ' ' THR . 14.0 t80 -65.79 -38.07 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -60.4 -56.84 31.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 32.2 Cg_endo -64.81 -18.86 63.71 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.788 1.659 . . . . 0.0 111.014 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 3.2 m -64.64 -52.61 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.215 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.63 -68.52 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.278 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 m-85 -46.44 -49.41 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.971 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.534 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 117.38 154.7 9.99 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.214 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.36 -8.43 12.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.339 2.026 . . . . 0.0 111.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HE ' ' HD2' ' A' ' 33' ' ' ARG . 7.9 tpt180 -100.11 -48.17 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 23.0 mt -62.63 -35.55 79.96 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 2.0 ptm -38.85 -29.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 25.8 ptm -103.53 -41.55 5.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.212 -0.305 . . . . 0.0 111.725 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 17.4 ptm180 -81.86 -0.7 44.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.466 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -110.31 -49.76 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.032 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' MET . 4.1 mm-40 -63.2 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.32 61.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.892 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.804 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -79.09 -35.19 42.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.701 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 ' SD ' ' A' ' 66' ' ' MET . 2.5 m -72.49 -39.42 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.102 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.11 52.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.481 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.1 -38.89 87.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 98.6 m95 -81.66 -31.6 32.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.439 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' A' ' 96' ' ' ALA . 13.0 tpt -68.74 -34.42 75.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -79.66 -16.64 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.695 0.283 . . . . 0.0 111.188 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.3 mtt180 -79.47 -54.38 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 78' ' ' VAL . 48.3 mt -45.24 -23.16 0.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.302 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.8 t -121.68 137.99 54.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.888 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -80.24 -26.6 38.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 0.0 110.131 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 90.3 mtt180 -112.49 54.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.81 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.8 t80 -117.72 102.75 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.958 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.49 -29.28 18.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.321 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.472 ' O ' HD21 ' A' ' 70' ' ' LEU . . . 155.44 178.51 29.74 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.58 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -170.71 172.47 5.76 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 14.4 m-85 -88.01 89.98 8.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.579 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -69.32 79.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.43 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -49.6 130.19 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.899 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.704 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.7 m-85 -81.88 129.97 34.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.439 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 49.2 m-85 -117.83 140.2 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.881 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -106.6 103.89 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.891 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.0 mt -80.89 150.17 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.481 ' OG ' HG13 ' A' ' 8' ' ' VAL . 87.1 p -65.7 -26.46 67.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' OD2' HG11 ' A' ' 8' ' ' VAL . 75.0 m-20 -75.8 -23.79 55.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 8.6 51.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.225 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.35 -47.49 12.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.512 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 8.0 m-85 64.92 130.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 124' ' ' LEU . 3.9 p90 -138.12 157.5 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.37 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.516 ' SD ' HG21 ' A' ' 38' ' ' VAL . 37.6 mtp -110.24 143.9 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.66 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.84 112.78 9.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.209 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 50.7 Cg_exo -53.82 165.78 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.648 2.232 . . . . 0.0 112.174 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 14.3 t70 -130.59 79.12 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.107 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 51' ' ' GLY . 77.9 mt -105.76 177.54 4.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.05 -174.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.03 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.83 135.42 13.22 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.011 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 48.43 100.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 0.0 111.905 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -126.15 135.31 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.7 pt-20 -67.62 112.32 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.9 mm -124.96 106.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.699 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 43.3 mt-10 -90.01 128.95 36.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.729 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.776 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -104.37 104.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.729 -179.348 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.476 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.5 m-80 -62.64 -32.61 73.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.44 -36.03 2.11 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.283 -0.871 . . . . 0.0 113.012 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.561 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.2 p30 -142.1 16.15 2.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.727 0.299 . . . . 0.0 110.871 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.89 56.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.243 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 77.8 t80 -91.73 103.2 15.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.808 0.804 . . . . 0.0 111.394 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.2 ttt180 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.049 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.58 142.92 6.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.322 -0.942 . . . . 0.0 113.116 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.9 mt-10 -78.34 126.02 30.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -132.75 165.86 23.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -78.8 148.41 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -22.85 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.4 -57.18 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -66.14 -13.57 60.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.42 -33.01 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.113 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.91 -18.5 57.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.031 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.2 mm -68.12 -40.26 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 109.79 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 141' ' ' ILE . 48.6 t -80.04 -24.49 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.359 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -71.74 -48.72 45.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.483 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.4 t -74.45 -40.72 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.33 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 124' ' ' LEU . 13.9 mt -52.82 -48.97 66.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.298 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 10.8 m-85 -62.81 -35.4 79.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.071 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -57.51 -44.58 85.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.622 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 121' ' ' TYR . 78.0 mt -57.43 -40.01 77.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.44 -33.48 86.6 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.669 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -74.62 -47.24 33.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.804 ' HG ' HD22 ' A' ' 37' ' ' LEU . 38.3 mt -55.9 -40.13 72.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -67.83 -31.99 72.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.874 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.67 -21.95 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.386 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' HD23 ' A' ' 104' ' ' LEU . 41.1 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.053 0.454 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 117' ' ' LEU . 21.1 mm -67.84 -16.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.34 0.591 . . . . 0.0 110.226 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.05 -44.86 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -70.82 -30.69 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.214 -179.346 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.461 ' HA ' HD13 ' A' ' 101' ' ' LEU . 27.6 t80 -59.99 -46.22 90.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CD2' HG22 ' A' ' 118' ' ' ILE . 91.6 m-70 -59.53 -39.36 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 23.5 m-85 -60.86 -53.57 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 65' ' ' TYR . 1.2 tt -56.64 -51.99 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -48.41 -28.86 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.09 -26.81 35.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.12 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -71.78 -32.85 68.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.942 0.371 . . . . 0.0 111.012 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -66.24 -12.0 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.61 -25.38 38.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.32 -4.98 90.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 111.89 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -81.76 143.06 49.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.85 -34.21 91.62 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.731 2.287 . . . . 0.0 112.474 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.2 pm0 -96.74 17.03 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.61 -38.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.52 -45.13 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 111.474 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.35 68.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.571 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.9 mt -64.49 -53.79 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -64.34 -35.88 82.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.551 0.215 . . . . 0.0 111.481 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -72.76 -30.28 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.53 -35.17 80.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.576 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.755 HG22 HG13 ' A' ' 95' ' ' VAL . 44.2 pt -92.86 -13.64 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 113.488 0.534 . . . . 0.0 113.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 127' ' ' PHE . 3.3 p -89.35 126.9 42.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.196 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.432 ' C ' HD23 ' A' ' 59' ' ' LEU . 68.1 p -146.92 139.38 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.088 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -88.42 -172.14 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 38.2 t -160.02 146.06 15.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.21 117.16 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.81 154.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 167.25 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 11.7 pt-20 -76.38 -28.3 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.13 -1.86 47.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 24.4 mm-40 -117.6 -19.0 9.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.786 ' NH2' ' HA ' ' A' ' 55' ' ' HIS . 13.4 ptm180 -67.77 -26.76 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.382 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.4 pt? -85.43 -21.66 28.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 11.7 t70 -97.39 -14.52 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HE2' ' A' ' 56' ' ' TYR . 4.8 t80 -72.86 -30.95 64.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.5 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.853 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 0.9 OUTLIER -56.52 -57.36 23.9 Favored Pre-proline 0 N--CA 1.456 -0.157 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -67.88 -15.66 44.23 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.176 1.917 . . . . 0.0 111.406 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 4.6 m -67.71 -38.64 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -126.96 -69.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.225 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.15 -37.33 0.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.984 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 112.53 149.33 10.78 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.63 -11.23 25.29 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.391 2.061 . . . . 0.0 112.016 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.89 -38.38 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.675 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.1 tp -71.64 -32.61 68.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.853 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.8 ptm -34.7 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 ptp -108.52 -35.74 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 61.4 mtt180 -74.69 -3.73 33.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.065 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -119.41 -44.54 0.47 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.184 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.8 tt0 -60.45 -31.54 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.594 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -21.33 51.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.74 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -82.11 -36.73 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.33 -37.59 71.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -25.27 43.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.66 -35.47 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.552 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.8 m95 -81.07 -31.74 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 tpt -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.549 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -21.49 40.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.356 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.5 mtt180 -75.29 -56.72 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.835 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HA ' ' A' ' 78' ' ' VAL . 36.5 mt -47.11 -19.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.327 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.4 t -117.91 141.99 47.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.929 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.38 -29.15 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.228 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -112.58 54.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -116.87 97.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.919 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.08 -40.21 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.0 166.01 33.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -152.1 152.53 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 0.0 111.219 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 91.07 3.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.944 0.402 . . . . 0.0 111.838 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -63.84 139.19 58.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.385 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.786 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.8 m-70 -118.96 120.97 38.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.635 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -74.8 127.19 32.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.958 0.409 . . . . 0.0 110.99 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.525 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.9 m-85 -121.67 140.12 52.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.213 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.698 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.33 114.39 27.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 63' ' ' GLY . 13.9 mt -89.11 152.45 21.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 -23.43 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.364 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.71 -5.15 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.93 68.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.261 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -93.58 34.3 4.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.405 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.698 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 18.8 m-85 -30.48 134.37 0.06 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.603 0.361 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.632 ' HB2' HG21 ' A' ' 97' ' ' THR . 11.3 p90 -138.29 -178.13 5.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.567 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 56.1 mtp -136.84 148.76 47.31 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.748 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.66 133.88 11.32 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.545 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 45.5 Cg_endo -67.81 169.22 16.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.684 2.256 . . . . 0.0 112.156 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.578 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.2 t70 -114.68 92.12 3.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -133.94 112.0 10.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.07 109.37 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -157.76 23.55 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.834 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -110.95 116.88 31.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.012 0.434 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -114.71 124.69 52.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.127 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.94 106.29 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -116.31 111.34 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.3 pt-20 -90.21 124.3 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.623 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.753 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.8 t -103.54 102.77 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.419 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.84 -36.7 59.54 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.577 0.227 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.38 -24.1 0.34 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.053 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.479 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -144.4 8.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.24 12.34 57.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.878 -0.601 . . . . 0.0 113.218 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -81.47 95.86 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.983 0.391 . . . . 0.0 111.579 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 112.79 22.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.79 135.35 3.57 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.75 -1.214 . . . . 0.0 113.847 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.74 150.4 49.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.094 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 15.5 tp -163.16 144.99 9.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.919 0.39 . . . . 0.0 111.12 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -66.5 159.37 27.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -66.99 -12.04 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.214 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' O ' HD11 ' A' ' 94' ' ' ILE . 12.9 t70 -89.22 -26.37 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.731 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -105.51 -13.07 15.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.13 -38.9 9.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.654 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.622 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -56.91 -27.82 57.0 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.239 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.0 mm -62.51 -35.59 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 109.846 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 141' ' ' ILE . 47.6 t -81.58 -28.25 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.25 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.55 -47.29 70.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.414 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.632 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.1 t -72.53 -42.35 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.44 -48.94 68.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.022 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.31 -30.71 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -68.33 -41.23 81.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.37 -39.29 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.935 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.92 -21.94 76.9 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.018 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.591 ' CD ' HD11 ' A' ' 37' ' ' LEU . 17.0 tt0 -83.91 -49.48 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -39.99 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.31 -32.7 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.69 -8.35 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.293 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.672 -179.782 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.918 0.39 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.5 mm -63.44 -34.56 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -43.24 63.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.839 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 117' ' ' LEU . 2.0 mpt_? -54.93 -37.04 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.017 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -67.12 -53.47 30.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -54.39 -36.66 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.424 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -75.04 -54.06 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.669 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.73 -56.3 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.792 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -45.71 -39.36 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.48 84.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.992 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' HA ' HG13 ' A' ' 8' ' ' VAL . 24.5 t80 -65.27 -35.86 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -73.66 -2.93 25.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.589 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.74 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.18 4.07 67.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.759 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.92 150.61 65.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 -31.08 94.9 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.583 2.189 . . . . 0.0 112.155 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -100.82 17.85 21.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.06 2.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -55.27 -44.85 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.587 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.42 69.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.745 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.532 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -67.18 -52.15 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.4 p90 -63.69 -36.06 82.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.519 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -72.99 -29.23 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -70.54 -33.43 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.708 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.573 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -94.82 -7.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo . . . . . 0 C--O 1.231 0.144 0 N-CA-C 113.154 0.405 . . . . 0.0 113.154 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 61' ' ' ASP . 8.3 t -66.81 121.25 15.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.314 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.532 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 74.3 p -138.44 138.78 38.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.822 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 170.47 13.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -156.89 158.21 36.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.49 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 55' ' ' HIS . 1.5 mt -90.18 123.46 34.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.119 0.485 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.25 152.64 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.198 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 153.43 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.85 -31.35 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.277 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.31 -1.79 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -121.16 -15.27 8.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 111.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -69.86 -25.24 63.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.556 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.5 pt? -71.35 -21.68 62.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.619 0.247 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.7 t70 -107.8 -11.23 15.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.64 -42.36 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.682 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -57.32 -52.46 74.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.729 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 58.6 Cg_endo -71.9 -17.1 29.1 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.337 2.025 . . . . 0.0 112.482 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.483 HG22 ' HD1' ' A' ' 25' ' ' TYR . 3.0 m -82.61 -35.46 27.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.128 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HD1' HG22 ' A' ' 24' ' ' THR . 6.6 m-85 -101.66 -22.3 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -108.69 -41.17 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 0.0 110.577 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.38 140.28 4.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 20.3 Cg_endo -60.24 -17.29 45.51 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.465 2.11 . . . . 0.0 112.419 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -102.5 -36.39 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.129 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.0 mp -70.46 -35.06 73.09 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.589 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppp? -34.49 -41.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 mtm -86.95 -47.02 9.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.883 0.373 . . . . 0.0 111.581 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' HD21 ' A' ' 104' ' ' LEU . 25.6 mmm180 -70.84 -5.7 32.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -109.53 -46.79 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 38' ' ' VAL . 11.7 pt-20 -60.73 -35.97 77.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 0.0 109.847 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.5 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -79.86 -35.97 37.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.785 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 35' ' ' GLU . 3.5 m -67.77 -42.33 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.59 -23.38 59.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.457 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.27 94.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.4 m95 -80.27 -34.14 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.486 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -64.45 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.94 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -82.79 -12.26 57.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.692 0.282 . . . . 0.0 111.56 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -86.52 -52.84 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 15.4 mt -46.32 -24.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.564 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.2 t -127.94 130.07 47.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.788 0.328 . . . . 0.0 110.621 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.702 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -71.23 -26.08 62.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.702 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 46.4 mtp180 -109.78 49.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -115.28 95.88 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.975 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -77.44 -46.8 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.68 -171.01 35.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.75 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -177.67 179.56 0.9 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.013 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -87.4 95.58 10.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.038 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 78.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.343 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB3' HD21 ' A' ' 12' ' ' LEU . 85.9 m-70 -50.93 133.41 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.132 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 14.9 m-30 -83.5 124.88 31.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.944 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.5 m-85 -115.2 142.12 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.685 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 104.24 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 12.3 mt -74.96 145.84 42.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.9 t -64.76 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' HB2' HG22 ' A' ' 8' ' ' VAL . 8.7 m-20 -150.62 10.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.678 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -106.64 11.55 42.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' PHE . . . 79.44 -81.92 1.42 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.632 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 13.0 p90 177.97 142.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.62 ' HB2' HD11 ' A' ' 124' ' ' LEU . 1.4 p90 -135.94 150.44 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 22' ' ' LEU . 22.6 mtm -112.94 144.87 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.963 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.06 136.51 15.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 32.8 Cg_endo -64.12 162.84 28.03 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.627 2.218 . . . . 0.0 112.289 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 20.0 t70 -111.11 85.94 2.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.184 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 25.7 mt -144.02 156.01 44.23 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.04 164.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.669 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.18 173.47 44.57 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.869 -1.158 . . . . 0.0 112.782 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 7.5 mpt_? 59.22 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.089 0.471 . . . . 0.0 110.581 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 73' ' ' ARG . 70.9 mt -133.16 130.53 39.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.587 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.7 mt-10 -56.56 108.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.5 mm -128.57 106.25 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.325 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 10.7 pt-20 -84.79 103.79 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.319 0.58 . . . . 0.0 109.866 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 140' ' ' ALA . 16.8 t -81.16 92.91 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.18 -34.39 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.74 -26.7 0.29 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.112 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -151.99 13.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.61 17.89 69.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.385 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 33.4 t80 -80.07 90.29 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.056 0.428 . . . . 0.0 111.397 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -78.85 106.4 10.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.84 144.31 10.59 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.531 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 42.8 mt-10 -81.36 109.08 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 13.6 tp -117.02 155.66 28.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.19 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -76.87 156.76 31.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -24.31 57.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.08 -57.22 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -70.19 -12.72 61.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.33 -38.14 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.95 -19.21 43.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.345 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.564 HG21 ' HB2' ' A' ' 128' ' ' ALA . 2.6 mm -70.58 -43.66 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.551 HG13 HG22 ' A' ' 141' ' ' ILE . 43.2 t -74.66 -21.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -76.25 -48.92 18.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.349 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.2 t -71.25 -40.33 71.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 124' ' ' LEU . 24.2 mt -58.54 -50.41 73.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.357 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 2.8 m-85 -58.06 -35.34 71.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.743 0.306 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -66.68 -39.65 88.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 97' ' ' THR . 88.7 mt -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.77 82.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.195 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.41 HE21 HD21 ' A' ' 37' ' ' LEU . 20.0 tt0 -76.3 -47.94 21.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.795 0.297 . . . . 0.0 111.164 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.819 ' HG ' HD22 ' A' ' 37' ' ' LEU . 93.5 mt -61.0 -45.88 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -57.98 -35.06 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.41 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.28 -9.12 34.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.743 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.893 0.378 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.746 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.3 mm -55.63 -29.04 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.197 0.522 . . . . 0.0 110.207 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -46.57 79.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.174 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 6.3 mmt180 -51.8 -39.18 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.085 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.429 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.5 t80 -71.66 -54.53 10.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.067 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -53.06 -29.66 31.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.678 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 24.2 m-85 -89.05 -51.71 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.674 0.273 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 65' ' ' TYR . 4.9 tt -50.07 -57.98 6.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -47.47 -38.03 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.724 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.0 80.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.7 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.532 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 81.0 t80 -64.63 -38.41 90.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -65.16 -11.46 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.599 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.56 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.21 2.01 80.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.407 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 3.0 m-70 -75.09 149.5 85.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.626 0.251 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.13 -10.21 26.38 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.736 2.291 . . . . 0.0 112.442 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -129.77 20.1 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.64 1.53 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.563 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.48 -43.91 45.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -76.35 -39.85 52.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.836 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.547 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.6 mt -62.71 -55.8 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.7 p90 -63.43 -34.36 77.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.565 0.222 . . . . 0.0 111.515 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 12.7 ptm180 -74.72 -28.55 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.505 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.94 -35.29 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.592 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.551 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -91.06 -10.4 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.997 179.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo . . . . . 0 CA--C 1.517 -0.338 0 CA-C-O 121.527 0.553 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' OG ' ' A' ' 60' ' ' SER . 50.2 t -107.14 136.27 42.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.69 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.1 p -146.53 140.84 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -88.07 179.68 6.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.2 t -151.89 152.19 32.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 13' ' ' VAL . 2.8 tm? -86.33 133.76 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.728 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' N ' HD13 ' A' ' 12' ' ' LEU . 60.9 t -101.89 144.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.344 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -48.01 148.25 1.78 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.4 pt-20 -70.53 -22.37 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.73 2.32 38.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.72 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 18.2 mm-40 -119.14 -20.61 7.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.091 0.472 . . . . 0.0 110.499 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.682 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 28.1 ptt180 -72.66 -17.47 61.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.161 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.47 -22.6 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.508 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.619 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.9 t70 -120.13 -18.4 8.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.75 -38.42 90.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.679 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.78 -53.46 43.18 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.064 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HB2' ' HA ' ' A' ' 28' ' ' PRO . 58.5 Cg_endo -71.18 -14.96 31.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.388 2.059 . . . . 0.0 112.442 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -80.39 -32.3 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.701 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -107.42 -27.25 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.617 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.4 t80 -97.57 -42.68 7.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.581 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 140.33 136.73 3.37 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.495 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 15.6 Cg_endo -57.23 -19.12 32.89 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.527 2.151 . . . . 0.0 111.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -97.95 -39.86 8.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 179.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.5 mm? -69.36 -35.57 75.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.86 -39.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.8 ptm -101.73 -36.72 8.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.853 0.359 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 30.1 mmm180 -71.8 -12.29 61.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.315 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -104.15 -44.97 1.53 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.081 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.7 pt-20 -60.01 -36.09 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 0.0 110.074 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.56 -19.15 60.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.883 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 2.2 mt -84.41 -41.07 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.806 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 35' ' ' GLU . 4.4 m -61.81 -36.62 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.406 . . . . 0.0 110.369 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.89 -22.99 36.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.256 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.03 93.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.835 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 92.0 m95 -78.72 -32.91 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.9 tpt -63.62 -43.84 95.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 15.5 ptm180 -68.74 -18.44 64.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 39.5 mtp180 -81.6 -19.81 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 110.666 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 76' ' ' ILE . 65.9 mt -80.91 -25.96 37.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.377 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.946 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -123.28 152.59 41.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.297 . . . . 0.0 110.3 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.48 -18.95 25.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.544 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -117.92 12.64 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 111.503 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.946 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.1 t80 -67.47 93.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.621 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.481 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -72.96 -25.12 60.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.599 179.077 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.79 130.98 6.25 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.76 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.37 -164.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -93.07 102.59 14.92 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.76 79.3 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 56.9 m-70 -50.35 134.6 23.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 17.9 m-30 -78.16 133.0 37.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.236 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.2 m-85 -121.36 145.66 47.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.9 95.36 5.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.678 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.8 mt -70.17 151.34 45.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.483 ' OG ' HG13 ' A' ' 8' ' ' VAL . 79.2 p -67.51 -29.16 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.208 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . 81.8 m-20 -72.31 -19.93 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.01 20.64 30.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.18 -42.11 5.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.38 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.464 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.7 m-85 64.74 126.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.554 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.9 p90 -136.42 161.32 36.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.239 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.486 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 66.6 mtp -114.22 134.09 55.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -127.16 130.65 23.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.25 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 27.9 Cg_endo -62.86 155.75 58.1 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.455 2.103 . . . . 0.0 111.712 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.6 t70 -101.77 87.71 3.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.179 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HB2' HD11 ' A' ' 74' ' ' LEU . 93.3 mt -143.55 118.95 10.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.998 0.428 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.95 113.76 27.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.11 -159.38 27.03 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.623 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -100.27 104.1 15.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 110.538 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 70' ' ' LEU . 52.8 mt -91.99 98.96 11.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 41.0 tt0 -65.98 93.52 0.2 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -97.48 154.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.115 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 84' ' ' ARG . 8.5 pt-20 -130.17 91.39 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.75 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.98 98.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.963 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.464 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.0 m-80 -69.77 -37.13 76.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 0.0 111.161 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.98 -24.52 0.53 Allowed Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.725 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.53 ' OD1' ' HB3' ' A' ' 83' ' ' PHE . 29.1 p30 -142.75 5.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.992 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.29 18.79 65.64 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.731 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.53 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 13.6 t80 -86.78 100.08 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.511 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 78.9 ttt180 -82.87 106.09 14.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.12 137.65 8.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.622 -1.275 . . . . 0.0 114.199 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 33.9 mt-10 -89.72 118.85 29.63 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -138.7 167.53 21.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 0.0 111.453 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -75.55 -168.89 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.151 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -90.78 -21.46 21.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 -57.95 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.48 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.596 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.37 -33.66 10.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.77 -22.75 62.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.385 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -64.91 -40.99 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.517 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.683 HG13 HG22 ' A' ' 141' ' ' ILE . 44.3 t -77.39 -28.49 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.787 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.561 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.04 -48.81 61.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -77.21 -40.2 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.2 tp -50.5 -55.68 14.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG22 ' A' ' 141' ' ' ILE . 22.7 m-85 -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.651 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.05 -42.98 93.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.306 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.81 -26.36 71.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.857 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.17 -45.29 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.67 0.271 . . . . 0.0 111.041 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 37' ' ' LEU . 34.8 mt -59.14 -45.98 89.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -57.28 -35.08 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.441 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.17 37.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.684 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.347 -179.644 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 121.096 0.474 . . . . 0.0 110.026 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.8 mm -63.07 -29.76 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -45.42 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.884 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -57.72 -39.49 77.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 22.3 t80 -57.68 -50.41 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.589 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -63.22 -31.42 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 61' ' ' ASP . 19.9 m-85 -66.01 -56.85 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.714 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 65' ' ' TYR . 34.5 tp -61.54 -41.6 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.555 HH11 HD21 ' A' ' 98' ' ' LEU . 15.8 tpt180 -42.08 -34.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 129' ' ' ALA . . . -52.49 -43.14 58.35 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.393 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.84 -40.81 80.95 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HA ' ' CD2' ' A' ' 131' ' ' HIS . . . -83.77 21.62 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.843 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 126' ' ' GLY . . . -120.87 11.89 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.42 14.28 0.12 Allowed Glycine 0 CA--C 1.516 0.114 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.587 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.613 ' CD2' ' HA ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -61.8 140.05 95.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.75 -15.94 21.16 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.548 2.165 . . . . 0.0 110.156 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -111.53 17.57 19.91 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.326 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.556 ' HB2' ' ND1' ' A' ' 131' ' ' HIS . . . -32.56 -47.24 0.15 Allowed 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.441 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -45.12 -51.1 10.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.938 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.757 ' HA ' ' HE ' ' A' ' 139' ' ' ARG . . . -73.07 -41.16 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.93 -50.19 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 134' ' ' ALA . 1.9 p90 -64.83 -41.14 95.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.757 ' HE ' ' HA ' ' A' ' 136' ' ' ALA . 29.1 ptt180 -71.48 -25.83 62.44 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.832 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -77.21 -35.7 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.944 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.683 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -85.98 -17.75 9.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.365 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -96.63 176.79 5.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.5 p -110.2 -10.16 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.06 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -124.08 -93.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.257 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.51 177.84 1.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.621 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -110.33 138.45 20.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.3 Cg_exo -69.14 6.28 1.16 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.931 2.42 . . . . 0.0 112.787 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 t -84.02 130.55 35.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.151 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 75.6 p -142.32 140.3 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.29 168.31 19.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -148.59 160.78 42.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -98.27 117.63 33.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.018 0.437 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 148.3 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.69 152.39 1.47 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.384 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 11.9 pt-20 -74.83 -29.54 61.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.11 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.71 -3.73 58.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.265 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.93 -17.0 9.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HB2' ' CD2' ' A' ' 56' ' ' TYR . 17.3 ptm180 -70.69 -20.21 62.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.56 -25.55 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.624 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 14.4 t70 -113.54 -15.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.397 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.68 -41.46 96.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.598 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -62.76 -54.25 49.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.072 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 56.1 Cg_endo -70.05 -12.84 33.11 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.231 1.954 . . . . 0.0 112.296 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 m -86.87 -33.45 19.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.758 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -98.26 -27.07 14.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.467 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.605 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -104.37 -44.34 4.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.019 0.438 . . . . 0.0 110.395 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 142.89 140.34 3.7 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.162 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 19.3 Cg_endo -58.42 -18.24 37.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.597 2.198 . . . . 0.0 112.418 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HE ' ' NE ' ' A' ' 33' ' ' ARG . 7.7 tpt180 -101.27 -35.45 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.247 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 26' ' ' PHE . 87.8 mt -72.38 -28.69 63.17 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.615 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.28 -36.37 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.655 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.2 ptp -97.62 -36.76 10.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' NE ' ' HE ' ' A' ' 29' ' ' ARG . 98.9 mtt180 -65.27 -21.51 66.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.543 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -102.42 -41.76 2.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.996 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.655 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -57.75 -40.03 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.334 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.31 -23.95 54.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.677 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.851 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.71 -35.39 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.6 m -70.94 -41.47 77.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 110.76 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -73.45 -26.15 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.593 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.26 96.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.735 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.9 m95 -76.22 -32.62 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.585 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 6.5 tpt -60.57 -52.43 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.585 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -62.36 -9.17 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.461 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -93.37 -34.09 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.961 0.41 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 78' ' ' VAL . 19.1 mt -67.72 -29.95 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.176 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.8 t -124.09 133.88 53.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.697 0.284 . . . . 0.0 110.557 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.78 -25.73 56.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.739 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -112.64 49.79 0.91 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.989 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.783 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -112.81 94.4 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.296 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.588 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -68.84 -58.78 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.08 -172.99 42.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -177.58 179.89 0.88 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.97 100.04 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -74.95 79.29 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.569 ' HA ' HH22 ' A' ' 18' ' ' ARG . 90.5 m-70 -49.55 145.02 5.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 11.4 m-30 -89.06 128.77 35.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 49.6 m-85 -117.96 141.86 47.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 131.72 48.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.52 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 124' ' ' LEU . 16.6 mt -110.55 141.8 43.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.056 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.4 m -78.2 -12.73 60.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.855 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 1.4 p30 -69.19 -21.38 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.1 4.23 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.338 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.29 5.79 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.142 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 28.1 p90 -177.27 156.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.629 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -139.15 158.33 44.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.263 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.482 ' CE ' HG21 ' A' ' 38' ' ' VAL . 14.7 mtm -118.16 141.46 48.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.482 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.42 126.93 19.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.6 Cg_exo -59.41 161.8 16.23 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.463 2.109 . . . . 0.0 111.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.95 89.42 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.28 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.795 ' HB2' HD11 ' A' ' 74' ' ' LEU . 95.5 mt -142.18 113.81 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.981 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.07 113.81 25.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.57 -159.68 26.84 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.608 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -97.22 102.21 13.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.907 0.384 . . . . 0.0 110.497 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 70' ' ' LEU . 85.1 mt -88.62 105.02 17.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.099 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 42.5 tt0 -65.66 88.71 0.1 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.212 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 46' ' ' CYS . 5.1 mm -106.14 105.17 18.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.644 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -96.08 101.05 12.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.227 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.698 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -73.8 115.75 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.754 -179.059 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.35 -30.34 64.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.076 0.465 . . . . 0.0 109.85 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.97 -35.72 8.25 Favored Glycine 0 C--N 1.333 0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.226 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.545 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.1 p30 -140.76 12.4 2.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.982 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.59 26.17 59.45 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 114.134 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 44.3 t80 -84.5 103.7 13.86 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 117.741 0.77 . . . . 0.0 111.185 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -89.67 113.07 24.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.394 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.11 141.14 6.7 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.687 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.465 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 44.8 mt-10 -80.29 124.13 28.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 87' ' ' LEU . 3.9 mm? -123.63 169.26 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -86.05 160.22 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.733 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.38 -26.59 42.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 0.0 110.988 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.62 -57.79 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.725 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.54 60.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.742 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.46 -34.08 12.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.553 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.46 -20.63 59.15 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.419 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.19 -45.82 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.269 0.557 . . . . 0.0 110.284 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.522 HG13 HG22 ' A' ' 141' ' ' ILE . 22.7 t -71.91 -27.11 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.585 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.46 -48.09 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.751 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -72.85 -39.66 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.403 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.2 mt -56.58 -51.98 66.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.474 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.1 m-85 -57.16 -32.01 65.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.481 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.12 -41.7 85.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 91.4 mt -58.97 -43.06 91.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.39 72.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.265 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -85.45 -45.29 11.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.877 0.339 . . . . 0.0 111.271 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.851 ' HG ' HD22 ' A' ' 37' ' ' LEU . 28.3 mt -61.99 -37.59 85.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.04 -37.65 88.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.358 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.34 -9.46 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.886 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -81.75 -31.22 32.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 114' ' ' ALA . 39.2 pt -88.33 18.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.161 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 60.25 -173.06 0.12 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -73.69 97.32 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.0 p -136.68 166.02 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -64.15 -21.65 66.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -88.6 -12.75 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -74.65 -7.53 53.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.75 -13.42 10.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.595 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.9 -49.42 15.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -68.83 -17.12 63.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.173 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.7 mm -62.16 -31.38 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.77 -45.81 70.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.944 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -57.14 -38.45 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.99 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 15.7 t80 -60.63 -52.01 66.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -65.35 -32.67 74.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.435 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.528 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 10.2 m-85 -65.68 -52.2 53.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.492 HD13 HD11 ' A' ' 59' ' ' LEU . 54.4 tp -67.85 -43.98 78.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.29 -35.98 13.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.335 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.7 -31.17 60.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.649 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.621 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 35.2 t80 -69.84 -30.81 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -61.33 -23.53 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.924 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.31 58.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.85 -8.0 87.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 21.1 m-70 -81.25 146.82 59.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.617 0.246 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 25.1 Cg_exo -62.83 -21.85 73.41 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.677 2.251 . . . . 0.0 111.946 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.3 15.45 28.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.605 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.17 -45.39 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.06 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.77 -47.71 50.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.798 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -73.58 -38.4 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.423 HG21 ' HB1' ' A' ' 128' ' ' ALA . 92.3 mt -65.17 -52.87 47.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.58 -36.17 83.35 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 14.4 ptm180 -73.19 -28.17 62.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.94 0.4 . . . . 0.0 109.963 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.72 -34.42 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.856 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -93.77 -13.75 8.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' C ' HD22 ' A' ' 2' ' ' ASN . 0.2 OUTLIER -148.33 -172.89 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 4' ' ' GLU . 9.7 t -142.61 -28.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.503 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' HG2' HG23 ' A' ' 3' ' ' THR . 7.5 mm-40 -95.95 152.79 18.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -151.21 118.67 6.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.648 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 11.1 pt20 -85.15 153.01 59.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.34 -18.54 20.43 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.549 2.166 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 64.6 t -67.07 130.33 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.28 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 81.3 p -145.55 140.34 27.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.11 177.14 9.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.008 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.2 t -161.87 160.75 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.66 118.72 30.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.12 153.05 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -51.85 152.05 3.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.5 pm0 -65.43 -31.94 73.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.372 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.61 -2.81 44.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.549 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.626 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.9 mm-40 -111.69 -16.97 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 13.8 ptm180 -71.96 -27.36 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.678 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.8 pp -71.39 -27.09 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.0 t70 -101.97 -9.42 20.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.549 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.1 t80 -62.53 -38.72 91.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.171 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 4.0 mm? -58.68 -58.35 19.89 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.181 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 35.6 Cg_endo -66.56 -10.41 27.77 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 121.85 1.7 . . . . 0.0 111.234 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.549 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 2.7 m -76.15 -39.09 55.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.069 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' HE2' ' HE ' ' A' ' 120' ' ' ARG . 12.3 t80 -122.46 -71.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -41.72 -38.72 1.51 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.963 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 114.63 145.87 8.96 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.504 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 17.8 Cg_endo -59.6 -12.84 18.89 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.408 2.072 . . . . 0.0 111.975 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -99.9 -43.74 6.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.587 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.677 ' HB3' ' HD2' ' A' ' 26' ' ' PHE . 10.9 mp -68.38 -28.32 67.01 Favored 'General case' 0 C--O 1.224 -0.238 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.504 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.4 ptm -32.66 -34.66 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.4 ptt? -101.39 -36.34 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.705 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 74.5 mtp180 -67.26 -21.36 65.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.302 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -99.95 -45.32 2.09 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.877 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.5 pt-20 -58.47 -36.46 73.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.88 0.372 . . . . 0.0 110.358 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.41 -30.72 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.66 -33.22 72.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.0 m -76.4 -39.45 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.759 0.314 . . . . 0.0 111.322 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -77.27 -22.49 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.5 179.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.18 92.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.808 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 97.4 m95 -84.02 -31.05 25.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -59.47 -25.84 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.324 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -92.26 -17.52 24.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -82.38 -6.34 59.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 78' ' ' VAL . 16.4 mt -94.23 -25.98 16.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.0 t -129.92 127.31 39.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.803 0.335 . . . . 0.0 110.614 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.744 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.4 pt-20 -68.83 -25.19 64.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.744 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 62.8 mtm180 -108.12 47.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.6 t80 -115.04 95.9 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.171 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -72.51 -49.25 34.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.859 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.23 -172.04 35.84 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' H ' ' A' ' 69' ' ' ASP . . . -176.25 177.44 1.53 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.685 0.279 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.84 95.72 10.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.21 75.94 0.98 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.072 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.598 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.1 m-70 -49.67 141.11 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 24.5 m-85 -85.38 128.78 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 42.6 m-85 -115.19 139.85 49.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.872 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.732 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -108.45 105.65 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.957 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 7.5 mt -79.65 150.81 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -76.52 -5.44 47.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.94 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HB2' HG11 ' A' ' 8' ' ' VAL . 9.6 t0 -97.84 -34.67 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.75 0.309 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.94 12.1 6.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.374 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.83 -53.01 4.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.224 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.732 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 29.3 m-85 65.34 124.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.955 0.407 . . . . 0.0 110.756 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.66 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.7 p90 -135.26 167.92 20.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.499 ' HE2' HG21 ' A' ' 38' ' ' VAL . 75.8 mtp -122.92 141.78 51.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.58 130.63 18.97 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.458 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.709 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 31.2 Cg_endo -64.71 161.84 34.13 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.639 2.226 . . . . 0.0 112.075 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 23.1 t70 -103.73 84.39 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.803 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 63.0 mt -137.46 109.86 7.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 111.53 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.511 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.29 -173.44 22.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.632 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -96.89 116.36 29.03 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.262 0.553 . . . . 0.0 110.456 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD22 HD13 ' A' ' 70' ' ' LEU . 3.0 mp -118.92 127.45 53.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.52 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 71.9 mm-40 -68.26 107.53 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.1 mm -114.78 106.2 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.025 0.44 . . . . 0.0 111.025 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 8.3 pt-20 -94.29 96.54 9.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.635 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.753 HG12 HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -71.91 104.53 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.663 -179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -62.29 -32.39 73.12 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.34 -35.73 2.8 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.984 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p30 -141.08 13.61 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.92 0.39 . . . . 0.0 110.728 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.15 29.11 59.37 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.873 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 72.0 t80 -89.87 101.11 13.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 117.649 0.724 . . . . 0.0 111.074 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -85.5 115.03 22.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.55 145.56 9.14 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.706 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.52 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 9.0 pt-20 -79.13 127.47 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.567 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.4 tp -138.51 150.9 46.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.905 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 t -71.21 158.24 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -61.27 -18.34 57.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -78.88 -58.16 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -15.2 63.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.364 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.08 13.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.872 0.367 . . . . 0.0 110.221 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.97 -17.34 43.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.556 -0.831 . . . . 0.0 111.183 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mm -73.42 -34.42 42.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.604 HG13 HG22 ' A' ' 141' ' ' ILE . 76.4 t -82.68 -26.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.46 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -71.27 -48.67 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.727 0.298 . . . . 0.0 111.64 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.66 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -71.73 -42.16 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.265 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 98' ' ' LEU . 19.9 mt -56.7 -47.81 79.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.048 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.495 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 3.4 m-85 -59.36 -31.72 69.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.043 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -67.56 -41.14 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.9 mt -57.98 -41.82 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.2 -34.23 89.38 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.379 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.625 ' NE2' HD11 ' A' ' 37' ' ' LEU . 24.1 tt0 -77.16 -48.17 18.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.876 0.338 . . . . 0.0 111.298 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.34 -33.22 67.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -75.07 -30.35 60.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.32 -13.84 34.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.58 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.29 -42.51 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 108' ' ' ILE . 24.0 pt -85.07 117.23 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.43 53.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.22 124.01 27.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -82.05 12.24 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.29 -58.4 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -98.1 -6.32 31.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.369 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.02 -7.69 24.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -118.77 -9.19 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.785 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -82.89 -52.73 6.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -64.55 -17.38 63.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.034 0.445 . . . . 0.0 110.046 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.0 mm -65.47 -30.6 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.345 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.1 OUTLIER -53.13 -41.22 64.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.831 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -61.15 -38.3 85.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.086 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -62.94 -48.66 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.755 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -61.46 -28.26 69.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -73.04 -53.5 10.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 65' ' ' TYR . 47.8 tp -63.92 -44.59 92.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.058 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -47.08 -37.99 10.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.05 -32.55 73.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.98 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 68.8 t80 -73.55 -27.21 61.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.667 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.31 -27.22 69.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.53 -22.93 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.43 67.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -68.45 151.68 97.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 120.581 0.229 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.41 -12.31 35.15 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.473 2.116 . . . . 0.0 111.703 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -121.96 25.23 9.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.543 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -45.57 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.805 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -56.83 -44.53 82.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.09 74.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.737 0.303 . . . . 0.0 111.733 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.407 HG21 ' HB1' ' A' ' 128' ' ' ALA . 95.9 mt -66.91 -53.03 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.2 -34.83 78.48 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.069 -0.252 . . . . 0.0 111.351 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -76.16 -31.97 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.053 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.49 -35.7 81.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.604 HG22 HG13 ' A' ' 95' ' ' VAL . 45.3 pt -94.25 -12.01 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.99 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.059 -179.772 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -144.59 122.57 12.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 3' ' ' THR . 4.6 m -140.66 12.46 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.207 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.72 2.28 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.351 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.14 156.7 38.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.873 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.67 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 1.7 pp0? -84.75 121.77 74.6 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.14 -14.49 38.13 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.717 2.278 . . . . 0.0 113.214 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 60' ' ' SER . 48.4 t -63.9 135.16 28.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.423 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.5 p -148.94 144.26 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -85.85 178.42 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.0 t -157.23 166.94 31.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' NH2' ' A' ' 18' ' ' ARG . 15.3 tp -94.68 133.0 38.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.6 t -99.44 146.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 147.7 52.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 12.7 pt-20 -61.42 -31.01 70.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.282 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.457 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 22.9 mm-40 -114.82 -10.5 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.937 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' NH2' HD11 ' A' ' 12' ' ' LEU . 31.6 mtt180 -68.23 -31.07 70.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.5 pp -64.44 -23.3 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.274 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.639 ' N ' HD12 ' A' ' 19' ' ' LEU . 22.9 t70 -114.22 -14.52 12.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.7 t80 -64.77 -39.2 93.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.698 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -61.41 -54.7 50.19 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.832 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD2' ' C ' ' A' ' 20' ' ' ASP . 55.0 Cg_endo -70.59 -13.91 32.98 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.205 1.937 . . . . 0.0 112.228 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.0 m -81.13 -39.0 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.766 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 24' ' ' THR . 13.6 m-85 -101.04 -25.56 14.01 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -103.26 -36.69 7.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.843 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.01 147.14 7.15 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.153 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.31 -17.98 49.98 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.449 2.099 . . . . 0.0 112.009 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -96.72 -43.37 7.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.462 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' MET . 10.2 mp -70.49 -26.94 63.84 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.664 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -30.61 -37.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 26.1 ptm -100.15 -34.41 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.595 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.649 ' HE ' ' HE ' ' A' ' 29' ' ' ARG . 39.0 mmt180 -63.45 -31.54 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.288 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.505 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -95.75 -40.81 4.02 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.656 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 13.0 tp10 -53.08 -41.79 65.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 110.097 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.48 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -82.36 -22.76 35.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -69.42 -39.71 77.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.33 -179.482 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.5 m -71.72 -40.25 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.28 -22.11 58.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.428 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.94 -44.4 92.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.276 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.463 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -73.63 -33.49 64.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.578 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.6 tpt -62.42 -45.44 93.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.514 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -68.12 -12.11 60.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.987 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.9 mtt180 -87.32 -19.0 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.447 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HB3' HG23 ' A' ' 76' ' ' ILE . 7.7 mt -84.86 -25.21 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.543 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.894 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.1 t -119.57 155.53 32.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.487 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.38 -20.1 19.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -114.89 14.67 17.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.894 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -69.44 90.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.03 0.443 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -81.64 -21.06 38.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.174 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.7 173.84 20.51 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HD21 ' A' ' 70' ' ' LEU . . . -168.06 168.19 12.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.833 0.349 . . . . 0.0 111.386 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -86.93 90.71 8.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -71.61 78.57 0.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.491 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 91.8 m-70 -54.26 146.78 14.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 6.3 m-30 -92.05 135.1 34.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.022 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.3 m-85 -122.35 142.83 50.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.661 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.43 108.79 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 9.6 mt -86.15 154.14 21.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.615 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.2 t -62.98 -30.77 71.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.362 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' OD2' HG21 ' A' ' 8' ' ' VAL . 75.2 m-20 -84.17 -0.91 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.075 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.9 8.76 87.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.251 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -60.92 -46.65 94.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.351 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.8 t80 62.49 118.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.033 0.444 . . . . 0.0 111.432 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.2 p90 -133.5 153.89 51.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.427 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.656 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 34.8 mtm -114.86 142.18 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 0.0 110.784 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -135.12 139.4 31.74 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.477 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 42.6 Cg_endo -67.42 162.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.51 2.14 . . . . 0.0 111.77 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.613 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.8 t70 -104.14 86.68 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -139.81 105.07 5.03 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.314 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.53 115.51 27.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.11 -152.74 21.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -115.03 118.31 33.05 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 110.733 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -126.04 125.12 42.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 10.0 pt-20 -63.14 112.26 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.217 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -125.56 105.64 15.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.99 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.5 pt-20 -79.84 124.54 28.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.854 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 140' ' ' ALA . 45.5 t -90.97 90.15 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.258 -178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -74.71 19.16 0.14 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.657 0.265 . . . . 0.0 111.362 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -94.01 -20.04 31.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.265 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -155.69 11.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.501 -0.349 . . . . 0.0 110.715 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.25 17.99 79.73 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.093 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.5 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 50.1 t80 -86.76 93.87 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 111.465 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -84.25 111.4 19.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.638 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -162.43 138.0 5.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.549 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 34.8 mt-10 -70.53 137.03 49.81 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.1 148.17 29.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.906 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.8 m -63.28 -170.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -88.44 -18.29 28.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.247 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -83.57 -58.68 2.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.731 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -65.28 -18.51 65.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.665 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.12 11.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.526 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 97' ' ' THR . . . -56.91 -20.42 33.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.418 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.46 -40.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.149 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG13 HG22 ' A' ' 141' ' ' ILE . 39.0 t -75.2 -29.42 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.34 -46.53 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.546 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -73.36 -42.94 61.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.424 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' HG ' HD23 ' A' ' 124' ' ' LEU . 37.1 mt -55.43 -50.35 70.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.011 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.488 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.1 m-85 -57.65 -31.25 66.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.945 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -70.05 -40.3 75.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.002 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.71 -42.78 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.205 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.43 76.36 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.614 . . . . 0.0 113.592 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CD ' HD11 ' A' ' 37' ' ' LEU . 9.0 tt0 -79.49 -47.73 15.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.985 0.392 . . . . 0.0 111.45 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.505 HD11 ' HA2' ' A' ' 34' ' ' GLY . 85.1 mt -56.93 -23.63 46.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.064 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.665 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -81.98 -35.24 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.27 -9.5 54.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.197 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -86.37 -39.72 16.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.9 pt -73.42 -3.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.323 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 57.51 -166.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 60.5 -175.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 t -130.2 6.5 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -84.01 -67.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.73 -17.27 48.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -5.38 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.53 -2.75 7.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -87.88 -51.47 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.178 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.665 HD11 ' HB2' ' A' ' 105' ' ' ALA . 3.2 pp -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.007 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 15.4 mm -49.92 -29.35 5.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.2 OUTLIER -50.7 -41.85 56.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.899 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -59.24 -38.62 80.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -57.17 -55.96 27.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -57.63 -37.6 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -59.77 -56.38 22.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.351 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.514 HD23 ' HG ' ' A' ' 98' ' ' LEU . 61.4 tp -62.28 -46.19 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.219 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -44.09 -37.82 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.377 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.28 -34.58 75.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.997 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.67 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 41.7 t80 -67.41 -28.57 68.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.987 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.72 -31.14 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.93 -27.1 67.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -77.39 -12.18 84.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.076 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 55.9 m-70 -85.98 149.04 49.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.625 0.25 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.501 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 21.7 Cg_exo -64.88 -33.51 52.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.68 2.253 . . . . 0.0 112.083 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.501 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.2 mp0 -89.65 15.8 8.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.15 -44.42 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.186 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.28 71.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.641 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.78 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 111.575 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -64.82 -53.04 46.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -64.59 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -74.4 -33.07 62.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.319 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.493 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.07 -34.84 78.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.704 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.521 HG22 HG13 ' A' ' 95' ' ' VAL . 47.0 pt -92.51 -14.28 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.027 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.009 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -103.33 138.49 40.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 m -89.21 -33.62 16.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -82.03 172.58 13.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.689 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -134.68 153.84 51.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' CD ' ' HA3' ' A' ' 130' ' ' GLY . 4.3 pt20 -71.08 120.84 81.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.2 Cg_exo -71.72 0.14 7.48 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.874 2.382 . . . . 0.0 113.026 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 61' ' ' ASP . 62.0 t -121.6 136.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.505 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.454 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 77.5 p -146.87 142.35 27.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -87.68 -179.56 6.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 111.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 41.2 t -157.81 165.62 34.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.718 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.2 tp -94.74 119.8 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 14' ' ' ALA . 23.8 t -78.82 155.55 4.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.064 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -55.99 155.32 6.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.78 -25.93 62.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.367 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.02 -1.63 51.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.747 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 27.2 mm-40 -121.38 -14.87 8.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.658 0.266 . . . . 0.0 111.487 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 16.7 ptm180 -71.05 -21.13 62.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.82 -17.61 57.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.998 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.1 t70 -115.73 -9.57 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 7.7 t80 -72.99 -42.66 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -59.95 -51.37 81.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.738 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 57.6 Cg_endo -71.01 -16.39 32.32 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.237 1.958 . . . . 0.0 111.937 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 25' ' ' TYR . 1.8 m -80.27 -32.21 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.235 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 23.7 m-85 -105.51 -20.61 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.643 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -108.78 -39.28 5.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.486 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.51 140.21 4.08 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.756 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 24.0 Cg_endo -61.03 -16.41 45.42 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.9 tpt180 -99.51 -34.73 10.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 8.5 mp -75.63 -28.86 58.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -31.67 -38.14 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -102.6 -31.39 10.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.392 . . . . 0.0 110.672 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 30.8 mmm180 -72.78 -13.59 61.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.084 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -108.87 -44.48 1.11 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.361 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.4 OUTLIER -58.94 -34.57 71.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 110.02 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -79.31 -21.7 45.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.15 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.658 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -78.47 -38.16 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.1 m -68.97 -39.05 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.108 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -79.18 -19.58 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -66.27 -36.56 83.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.553 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.7 m95 -81.16 -33.01 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.717 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.489 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 42.7 tpp -65.07 -45.97 83.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.65 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' CE2' ' A' ' 39' ' ' TYR . 8.6 ptm180 -65.49 -17.77 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.402 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 70.2 mtp180 -82.27 -50.45 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.712 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB3' HG23 ' A' ' 76' ' ' ILE . 33.3 mt -47.62 -25.16 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.815 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 40.5 t -121.9 146.25 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.18 -28.17 25.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.675 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -117.93 54.46 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.345 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -109.81 91.55 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -65.76 -41.51 92.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.951 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.06 -169.78 28.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.388 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 70' ' ' LEU . . . -177.05 178.81 1.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.16 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -89.05 96.46 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -74.06 75.38 1.73 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.171 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -45.67 131.18 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.144 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.523 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 27.2 m-85 -83.67 86.42 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.548 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 60.8 m-85 -73.66 148.71 42.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.448 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 113.38 23.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mt -86.85 151.08 23.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.257 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.0 p -73.57 -18.47 61.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.0 t0 -87.88 -9.86 52.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.63 7.24 63.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 123' ' ' PHE . . . -102.03 42.51 1.89 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.641 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 10.9 p90 -34.88 143.66 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.551 0.341 . . . . 0.0 111.511 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.56 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.5 p90 -134.03 165.13 25.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.224 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE2' HG21 ' A' ' 38' ' ' VAL . 71.4 mtp -115.4 134.01 55.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.1 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -132.41 128.96 21.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 89' ' ' ALA . 46.3 Cg_endo -68.06 162.0 41.9 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 18.9 t70 -103.76 83.89 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' A' ' 52' ' ' ALA . 1.1 mp -134.9 116.94 15.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.08 107.24 18.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.43 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.516 ' O ' ' HG ' ' A' ' 74' ' ' LEU . . . 144.53 165.5 11.07 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.752 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -61.2 94.84 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 70' ' ' LEU . 28.7 mt -87.07 107.55 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.159 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 43.2 mt-10 -65.38 90.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.114 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.656 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.5 mm -113.44 106.88 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.053 0.454 . . . . 0.0 111.605 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -94.79 139.13 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.682 178.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.578 ' CG2' ' HB3' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -107.31 106.64 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.624 -179.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.452 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.5 m-80 -63.94 -32.29 73.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 109.87 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.69 -33.17 4.62 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.429 -0.805 . . . . 0.0 113.281 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.498 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.0 p30 -143.43 14.79 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.88 29.67 59.12 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.578 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 79.6 t80 -90.19 105.76 18.03 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 118.176 0.988 . . . . 0.0 111.202 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -89.27 115.05 26.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.008 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.72 143.06 7.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.027 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.9 mp0 -80.35 135.4 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.372 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.579 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 11.4 tp -141.05 170.05 16.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.881 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -84.75 161.75 19.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.01 -25.03 66.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -79.02 -55.67 4.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.84 -6.72 22.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.734 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.32 -38.57 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.476 ' O ' HG22 ' A' ' 97' ' ' THR . . . -55.22 -29.99 53.82 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.913 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 137' ' ' ILE . 4.3 mt -61.59 -49.27 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.996 0.427 . . . . 0.0 110.232 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 141' ' ' ILE . 59.7 t -66.52 -22.14 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.338 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.489 ' HB2' ' HE2' ' A' ' 42' ' ' MET . . . -75.35 -47.25 28.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.327 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' HB2' ' A' ' 65' ' ' TYR . 2.7 t -74.6 -42.54 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 101' ' ' LEU . 50.8 mt -51.97 -53.41 41.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.378 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 95' ' ' VAL . 12.2 m-85 -57.54 -34.09 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.168 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.69 -36.66 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.016 0.436 . . . . 0.0 110.616 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 98' ' ' LEU . 90.5 mt -58.09 -42.58 85.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.914 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.29 -34.02 61.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.028 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -70.07 -50.17 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.971 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.583 HD23 HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.02 -40.87 97.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.809 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.08 -36.52 83.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.82 -12.37 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.352 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -78.14 -33.79 50.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 108' ' ' ILE . 15.3 pt -93.29 101.85 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.72 85.74 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.29 -172.77 4.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.7 t -128.57 -4.01 5.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -106.86 -61.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -79.26 -18.47 52.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.69 58.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 111.257 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.52 -7.99 7.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.722 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.36 -48.75 13.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.809 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -72.42 -16.86 61.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.977 0.417 . . . . 0.0 110.529 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.7 mm -61.18 -34.84 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.318 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.473 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -53.12 -42.95 66.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.2 mpt_? -54.16 -38.33 65.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.096 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.28 -54.56 35.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -58.52 -34.11 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.67 ' HB2' ' HA3' ' A' ' 63' ' ' GLY . 23.1 m-30 -67.87 -54.36 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.329 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.1 tp -63.36 -45.64 90.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -46.71 -39.19 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.37 -29.68 63.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.951 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 62.9 t80 -72.53 -34.49 67.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.473 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -64.63 -15.09 60.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.07 -25.11 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.446 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -83.22 -6.45 87.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.119 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.87 145.35 57.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.605 0.241 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.94 -23.8 67.84 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.482 2.121 . . . . 0.0 112.118 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -100.35 15.32 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.14 -45.07 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.195 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -45.02 69.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.572 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.8 70.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.328 . . . . 0.0 111.698 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 94' ' ' ILE . 89.6 mt -64.68 -52.92 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -65.61 -36.28 83.28 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -71.45 -32.83 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.871 0.367 . . . . 0.0 110.221 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -65.99 -33.29 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.794 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.658 HG22 HG13 ' A' ' 95' ' ' VAL . 49.0 pt -92.06 -16.83 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.944 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tmm? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -148.48 175.52 11.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 t -127.8 -5.37 5.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.67 -74.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 66.07 139.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 3.2 pt20 -70.74 141.31 87.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.7 Cg_exo -68.24 -0.23 5.44 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.832 2.355 . . . . 0.0 112.953 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.479 HG11 ' OD2' ' A' ' 61' ' ' ASP . 23.6 t -128.92 138.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.644 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 64.6 p -145.38 138.23 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.44 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -83.91 -176.28 6.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.3 t -157.82 149.57 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.7 tp -88.84 118.82 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.765 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.54 151.62 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.88 162.79 1.15 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -82.92 -28.9 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.332 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.72 -1.29 57.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.646 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -122.52 -18.74 6.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.733 0.301 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.647 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 6.3 ptm180 -69.91 -21.29 63.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.324 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.71 -23.1 63.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -114.2 -6.07 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 0.0 110.12 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.91 -41.72 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.737 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 31' ' ' MET . 4.5 mt -62.58 -54.63 46.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.457 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.566 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 45.7 Cg_endo -68.46 -13.34 37.26 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.087 1.858 . . . . 0.0 112.561 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 m -91.26 -41.39 10.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HB3' ' CE2' ' A' ' 64' ' ' PHE . 89.0 m-85 -109.3 -33.27 6.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.2 t80 -89.87 -38.36 13.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.951 0.405 . . . . 0.0 110.592 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.34 135.49 3.37 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.045 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 16.6 Cg_endo -57.29 -21.51 44.41 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.417 2.078 . . . . 0.0 112.092 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 tmt_? -95.5 -41.36 9.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.125 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 7.8 mp -65.81 -37.3 85.88 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.572 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.54 -42.54 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 19.4 ptp -99.48 -36.19 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.585 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 27.3 mmm180 -67.32 -15.49 63.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.177 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.652 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -107.14 -42.81 1.46 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.501 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.6 pt-20 -58.68 -40.15 82.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.369 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.96 -25.87 53.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.688 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.654 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -75.44 -34.27 60.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 34' ' ' GLY . 5.5 m -70.95 -39.5 75.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.731 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.46 -21.04 53.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.442 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -64.64 -37.38 87.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.81 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -83.23 -30.74 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.712 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.55 ' HE2' ' HG2' ' A' ' 68' ' ' PRO . 9.6 tpt -59.53 -37.92 79.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -79.03 -4.77 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.233 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.4 mtt180 -94.18 -14.85 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.8 mt -89.39 -25.41 21.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.3 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.849 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.9 t -121.21 150.5 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.677 0.275 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 11.0 pt-20 -91.18 -20.41 22.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.334 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 98.9 mtt180 -110.43 8.14 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.346 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.849 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -66.1 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.075 0.464 . . . . 0.0 111.047 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -76.42 -57.75 3.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.743 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.28 160.11 33.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -153.22 152.73 31.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 111.21 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.65 92.97 4.8 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.505 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 2.4 m0 -66.55 152.49 45.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.449 0.643 . . . . 0.0 111.495 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.584 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 94.4 m-70 -134.15 136.98 44.18 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.663 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.647 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.1 m-30 -88.36 135.27 33.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 0.0 110.301 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 11' ' ' SER . 43.3 m-85 -122.0 144.37 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.652 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.681 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.19 99.57 8.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.808 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 14.6 mt -75.23 144.59 42.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.215 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.4 t -73.74 -11.67 60.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.426 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.582 ' CG ' ' HB3' ' A' ' 123' ' ' PHE . 2.1 p30 -81.57 -20.37 40.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.89 34.63 6.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.4 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -113.93 -41.76 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.693 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.681 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 24.7 m-85 64.38 123.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.841 0.353 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.648 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 3.5 p90 -133.09 165.59 24.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.088 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.631 ' HE2' HG21 ' A' ' 38' ' ' VAL . 69.2 mtp -120.93 140.67 51.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.648 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.89 125.27 11.58 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.36 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.55 ' HG2' ' HE2' ' A' ' 42' ' ' MET . 35.3 Cg_exo -60.73 169.44 5.63 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.569 2.179 . . . . 0.0 111.703 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.591 ' C ' HD22 ' A' ' 70' ' ' LEU . 17.2 t70 -111.91 90.81 3.44 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.8 mm? -134.56 109.44 8.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.148 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.58 110.62 22.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 111.303 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.72 -155.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.702 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -111.62 114.03 26.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 110.589 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 70' ' ' LEU . 2.8 mp -113.05 126.62 55.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.106 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 45.6 mm-40 -66.91 104.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.28 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.2 mm -115.77 105.6 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.234 0.54 . . . . 0.0 111.672 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' LEU . 9.9 pt-20 -84.82 102.41 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.833 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 13.3 t -77.12 94.41 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.302 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.32 -35.88 80.33 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.44 -25.6 0.1 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 113.13 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.596 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.1 p30 -151.85 11.83 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.668 0.27 . . . . 0.0 110.925 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.18 17.95 68.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.287 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 48.9 t80 -78.48 91.49 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 117.048 0.424 . . . . 0.0 111.183 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -78.7 103.7 8.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.84 130.4 2.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.494 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.485 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 11.1 pt-20 -69.57 132.27 45.97 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' HG2' ' A' ' 133' ' ' GLU . 16.7 tp -144.92 157.65 44.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.889 0.376 . . . . 0.0 111.162 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.2 p -78.61 173.31 12.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -79.49 -5.17 54.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.355 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' O ' HD11 ' A' ' 94' ' ' ILE . 11.6 t70 -93.27 -24.63 18.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 110.555 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.86 -11.99 15.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.098 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.74 -36.11 9.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.428 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.93 -21.39 52.17 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.221 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.407 HD11 ' O ' ' A' ' 90' ' ' ASP . 5.2 mm -68.34 -34.7 67.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.199 0.523 . . . . 0.0 110.015 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.598 HG13 HG22 ' A' ' 141' ' ' ILE . 53.4 t -78.97 -33.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -64.67 -45.82 85.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.52 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -71.91 -43.8 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.446 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 141' ' ' ILE . 28.0 mt -53.03 -53.13 54.64 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.38 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 11.2 m-85 -57.61 -33.72 68.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.17 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.654 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -63.78 -44.74 92.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.65 -41.52 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.26 -28.42 73.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.873 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.02 -47.86 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.135 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -59.05 -44.81 91.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 110.783 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -60.22 -34.96 74.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.45 58.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.41 -19.8 65.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.721 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 30.4 pt -129.34 29.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.02 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 114' ' ' ALA . . . -62.52 -7.88 5.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.465 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -93.45 11.28 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.068 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.0 p -133.64 -177.71 4.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.299 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -88.98 -6.46 57.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -88.56 5.16 44.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.098 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 108' ' ' ILE . . . -88.05 -9.34 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.332 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.42 -9.29 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.63 -52.08 7.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -66.48 -15.66 63.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.994 0.426 . . . . 0.0 110.123 179.763 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.61 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.9 mm -66.45 -30.93 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.394 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -37.81 59.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.462 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 6.7 mpt_? -64.27 -37.13 86.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.5 -39.12 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -24.04 67.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.941 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.582 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 20.9 m-85 -92.54 -50.33 5.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.0 tt -50.57 -55.51 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.397 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -47.14 -41.5 17.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.779 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.37 -31.26 78.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.697 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.644 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 79.2 t80 -72.54 -32.89 66.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.78 -24.02 67.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.463 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.74 61.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.224 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.88 -9.15 83.19 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 11.1 m-70 -74.5 147.79 85.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 26.0 Cg_exo -62.78 -14.66 41.96 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.698 2.266 . . . . 0.0 112.022 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.533 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 4.3 mp0 -116.21 20.12 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.392 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.44 -47.15 4.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.202 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -51.96 -47.84 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.545 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.4 78.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.651 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.3 mt -65.92 -52.54 48.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -63.71 -36.9 85.37 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.502 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 18.3 ptp180 -73.93 -28.8 61.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.961 0.41 . . . . 0.0 109.936 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.517 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.61 -36.24 82.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.651 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.598 HG22 HG13 ' A' ' 95' ' ' VAL . 48.9 pt -92.3 -13.55 8.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.072 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.983 -179.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 ptp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -149.17 18.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -75.16 5.72 5.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.22 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.54 157.08 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 59.74 98.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.58 ' HB2' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -78.97 132.4 63.99 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.283 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 17.0 Cg_exo -68.67 5.34 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.733 2.288 . . . . 0.0 112.499 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG12 HD22 ' A' ' 59' ' ' LEU . 3.2 t -76.22 125.16 35.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.134 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' HD23 ' A' ' 59' ' ' LEU . 67.7 p -138.39 138.99 38.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -82.87 176.81 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -158.43 160.72 37.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.951 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.8 tp -93.62 120.59 34.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 14' ' ' ALA . 10.7 t -82.39 158.39 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -55.63 151.29 11.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.5 pt-20 -72.07 -22.06 61.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.247 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.58 6.36 37.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.561 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.0 mm-40 -125.82 -18.49 5.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD3' ' HA ' ' A' ' 15' ' ' GLU . 32.8 ptt180 -72.05 -21.75 61.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.269 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -74.73 -17.64 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.749 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 4.9 t70 -115.89 -9.35 11.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.898 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 21.6 t80 -80.49 -34.97 35.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.941 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.12 -50.85 66.5 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.291 179.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 59.1 Cg_endo -72.12 -15.49 28.86 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.231 1.954 . . . . 0.0 111.928 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -84.11 -33.61 24.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.602 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 m-85 -100.37 -27.67 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.296 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.609 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -100.74 -45.48 5.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.042 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 143.17 140.49 3.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.449 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.58 -19.04 50.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.461 2.107 . . . . 0.0 112.17 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.808 HD22 HD21 ' A' ' 104' ' ' LEU . 95.4 mt -68.59 -35.37 77.27 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.555 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -30.1 -40.35 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -179.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.649 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 25.1 ptt? -101.38 -31.6 10.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 23.4 mmm180 -74.34 -11.75 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.02 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA3' ' HE2' ' A' ' 26' ' ' PHE . . . -109.78 -43.81 1.09 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.105 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.2 pt-20 -57.59 -36.25 71.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.123 0.487 . . . . 0.0 109.779 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -79.12 -17.09 55.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.782 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.6 mt -82.31 -41.85 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.922 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG21 ' HE2' ' A' ' 66' ' ' MET . 4.5 m -66.95 -38.88 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -24.8 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -62.72 -36.58 83.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 95.9 m95 -79.99 -33.87 39.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.697 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.521 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 10.7 tpt -65.78 -45.1 83.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.65 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -64.38 -23.43 67.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.698 0.285 . . . . 0.0 111.256 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -78.02 -47.52 18.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' ' 78' ' ' VAL . 71.6 mt -48.03 -26.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 42.9 t -132.41 123.74 27.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 13.1 pt-20 -65.64 -25.02 67.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.562 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 29.7 mmm180 -107.28 46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.956 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.7 t80 -114.73 96.2 5.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.966 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -71.82 -48.98 42.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.558 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -178.01 -179.69 0.77 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.764 0.316 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 21.8 m-85 -91.65 96.31 10.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.465 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -78.37 77.27 4.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.249 -179.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 66' ' ' MET . 92.6 m-70 -44.05 138.52 2.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.234 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 7.0 m-85 -90.79 81.72 5.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.959 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 56.3 m-85 -68.48 149.7 48.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.55 119.15 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.649 HD22 HG12 ' A' ' 8' ' ' VAL . 10.1 mt -91.57 151.66 20.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.2 p -67.48 -25.25 65.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.851 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 7.96 38.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.666 0.27 . . . . 0.0 111.335 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.51 2.24 87.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.705 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -86.74 30.72 4.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.051 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 29.9 p90 -37.22 144.62 0.07 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.888 0.375 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 9.1 p90 -135.37 178.13 7.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.665 ' HE2' HG21 ' A' ' 38' ' ' VAL . 64.7 mtp -127.31 136.52 52.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.654 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -133.36 124.42 18.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.358 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB2' ' HB1' ' A' ' 89' ' ' ALA . 31.8 Cg_exo -58.8 158.59 23.88 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.577 2.185 . . . . 0.0 111.967 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.8 t70 -104.37 84.22 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 81.7 mt -134.01 105.44 6.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.06 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.43 -149.54 20.24 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.703 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -128.48 137.22 51.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.096 0.474 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -129.24 153.32 47.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.979 -179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.567 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -91.02 102.53 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.122 0.487 . . . . 0.0 111.018 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.3 mm -109.92 110.93 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.187 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.727 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 35.8 mt-10 -85.57 125.63 33.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.227 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.671 ' HA ' HD22 ' A' ' 45' ' ' LEU . 5.8 t -99.82 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.959 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.96 -37.9 64.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.548 0.213 . . . . 0.0 111.309 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -44.55 -21.52 0.29 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.989 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.48 HD21 ' HA ' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -144.76 6.94 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.895 0.379 . . . . 0.0 110.788 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.1 13.42 59.81 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 113.198 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -82.85 94.84 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.399 . . . . 0.0 111.472 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 57.8 ttp180 -82.26 110.87 17.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.4 133.83 3.61 Favored Glycine 0 N--CA 1.454 -0.143 0 C-N-CA 119.654 -1.26 . . . . 0.0 113.801 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 31.0 mt-10 -74.33 138.2 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.8 tp -157.73 153.16 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.925 0.393 . . . . 0.0 111.082 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.4 p -70.11 153.95 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.752 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.46 -12.28 5.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.484 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -82.15 -58.87 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -75.18 -10.71 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -94.65 -37.37 11.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.879 0.371 . . . . 0.0 110.146 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.09 -20.34 42.0 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.08 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mm -66.18 -39.47 84.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.284 0.564 . . . . 0.0 109.864 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.718 HG13 HG22 ' A' ' 141' ' ' ILE . 51.2 t -78.95 -28.77 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.194 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.63 -47.24 70.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.68 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -72.73 -42.39 64.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.345 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 101' ' ' LEU . 27.9 mt -54.93 -50.66 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.01 -27.18 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -73.4 -36.47 66.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.652 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -63.95 -45.21 90.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.257 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.05 90.9 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.511 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 107' ' ' GLU . 10.5 tt0 -80.45 -45.73 17.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.909 0.354 . . . . 0.0 111.343 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.808 HD21 HD22 ' A' ' 30' ' ' LEU . 27.4 tp -61.49 -33.77 74.35 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.729 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -71.27 -34.41 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 103' ' ' GLN . 43.9 mt-10 -59.29 -21.83 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.651 HG13 ' HB2' ' A' ' 114' ' ' ALA . 31.4 pt -129.62 24.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.4 -22.62 7.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.488 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.17 22.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.847 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 112' ' ' ASP . 2.5 m -142.68 172.87 12.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.059 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.647 ' H ' HG22 ' A' ' 111' ' ' THR . 4.5 p30 -84.73 -21.0 30.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.14 0.495 . . . . 0.0 110.552 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.64 -4.38 33.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.651 ' HB2' HG13 ' A' ' 108' ' ' ILE . . . -87.56 -6.59 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.194 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -107.57 -10.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.694 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.41 11.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -66.79 -18.25 65.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.022 0.439 . . . . 0.0 109.905 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.685 ' N ' HD13 ' A' ' 117' ' ' LEU . 7.6 mm -62.02 -33.08 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -47.56 72.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.871 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.1 mpt_? -53.9 -37.22 63.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.985 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.54 -57.33 11.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -56.64 -45.2 81.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.28 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.58 -56.91 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.19 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' A' ' 65' ' ' TYR . 37.5 tp -55.34 -54.86 38.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.145 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -44.05 -41.46 5.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.21 -36.45 93.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.863 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.539 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 59.5 t80 -70.38 -28.18 64.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.45 -22.37 66.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.89 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.98 -24.63 58.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.88 -11.84 83.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -78.51 146.35 69.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.561 0.22 . . . . 0.0 110.978 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.71 -21.72 69.79 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 111.728 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -103.56 17.24 24.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.482 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.72 3.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.17 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -51.93 -47.1 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.423 ' HA ' ' CD ' ' A' ' 139' ' ' ARG . . . -70.66 -37.18 73.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 91' ' ' ALA . 96.9 mt -66.6 -51.98 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -66.54 -36.1 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.488 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 136' ' ' ALA . 13.2 ptm180 -72.59 -32.5 66.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 0.0 110.068 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.48 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.827 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.718 HG22 HG13 ' A' ' 95' ' ' VAL . 47.5 pt -94.5 -13.82 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.793 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.954 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.709 0.29 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -60.07 151.64 26.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.4 p -131.29 2.78 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.44 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -107.73 146.16 32.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.17 141.65 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.458 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' OE1' ' HA3' ' A' ' 130' ' ' GLY . 3.3 pt20 -110.05 166.26 11.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.912 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.604 ' O ' HG23 ' A' ' 9' ' ' THR . 40.6 Cg_exo -59.1 -143.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.89 2.393 . . . . 0.0 112.535 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.697 HG11 ' HB2' ' A' ' 61' ' ' ASP . 95.4 t -24.68 134.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.016 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 7' ' ' PRO . 27.6 p -142.34 146.92 35.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.851 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 178.04 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -161.42 161.45 30.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.781 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.6 tp -89.4 119.78 30.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -77.54 155.81 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 18' ' ' ARG . . . -54.81 165.2 0.65 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.1 -27.03 30.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.358 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.6 -3.8 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.545 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 23.5 mm-40 -116.28 -18.58 10.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.384 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.73 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 9.9 ptm180 -65.02 -25.79 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.469 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.909 HD13 ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.74 -15.91 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.657 0.265 . . . . 0.0 111.436 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.617 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.1 t70 -111.29 -14.12 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.621 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -70.51 -43.13 70.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -56.09 -53.01 68.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.681 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 28' ' ' PRO . 55.4 Cg_endo -70.16 -15.68 35.67 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.363 2.042 . . . . 0.0 112.161 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 25' ' ' TYR . 4.9 m -81.99 -32.36 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.869 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' A' ' 24' ' ' THR . 12.7 m-85 -106.73 -20.12 13.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.57 -35.7 6.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 110.429 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 132.8 138.24 4.05 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.476 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.9 Cg_endo -57.45 -15.94 21.52 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.683 2.255 . . . . 0.0 112.244 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -102.0 -34.36 9.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.467 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.4 mp -76.27 -26.24 55.73 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 ptm -34.01 -35.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.683 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 22.6 ptp -100.92 -34.71 9.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.44 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -67.61 -17.4 64.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.971 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -106.12 -42.94 1.57 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.834 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 11.7 pt-20 -57.42 -37.97 73.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -76.61 -24.3 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.503 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -76.26 -36.49 58.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 100' ' ' ALA . 4.8 m -70.24 -38.25 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.833 0.349 . . . . 0.0 111.178 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -77.89 -24.26 48.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.37 179.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.58 91.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.606 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 90.2 m95 -78.67 -34.08 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.621 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 1.8 tpt -61.73 -41.78 98.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.851 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -76.42 -9.41 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.77 -179.086 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -93.29 -43.89 8.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.212 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 41' ' ' TRP . 50.8 mt -52.46 -24.89 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.813 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.818 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 37.7 t -119.32 139.87 51.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.229 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.8 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 9.8 pt-20 -77.6 -28.83 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.738 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.8 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 76.3 mtp180 -115.77 54.83 0.8 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.818 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.0 t80 -114.71 97.64 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.977 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -73.34 -47.66 40.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.51 -169.85 33.41 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.729 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -179.76 -177.1 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 29.1 m-85 -91.41 99.55 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.93 0.395 . . . . 0.0 111.249 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.443 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -76.59 77.28 3.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.034 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.628 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 82.8 m-70 -49.5 142.23 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.401 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.73 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 25.6 m-85 -85.86 127.64 34.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 47.6 m-85 -116.44 142.64 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.684 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 118.13 35.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.631 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 11.2 mt -91.43 148.31 22.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -75.8 -15.81 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.909 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.697 ' HB2' HG11 ' A' ' 8' ' ' VAL . 8.7 t70 -73.52 -21.6 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.011 0.434 . . . . 0.0 110.54 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 119.67 -3.61 13.38 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.828 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.01 -147.53 19.84 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.116 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 35.4 p90 -179.58 148.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.744 0.307 . . . . 0.0 110.779 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.4 p90 -136.77 160.18 39.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.417 ' HG2' ' HD1' ' A' ' 56' ' ' TYR . 74.5 mtp -116.26 136.66 52.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.62 119.1 18.13 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.026 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.606 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 44.6 Cg_exo -55.48 160.17 9.52 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.329 2.019 . . . . 0.0 111.663 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 53' ' ' TYR . 19.4 t70 -101.89 88.71 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 111.281 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 91.3 mt -142.42 111.19 6.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.004 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.77 113.05 25.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.266 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.87 -161.9 28.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.666 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HD3' ' OE1' ' A' ' 86' ' ' GLU . 59.6 mtt180 -101.08 108.75 20.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 70' ' ' LEU . 65.3 mt -101.78 114.57 28.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.476 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.531 ' OE1' ' HB3' ' A' ' 86' ' ' GLU . 5.2 mm-40 -72.68 86.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.732 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.6 mm -97.85 107.47 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.122 0.487 . . . . 0.0 111.21 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.728 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 41.2 mt-10 -92.16 102.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.552 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 140' ' ' ALA . 0.4 OUTLIER -72.47 104.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.608 -179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.606 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.3 23.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.901 0.382 . . . . 0.0 110.58 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -104.11 -30.89 4.92 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.552 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.505 HD21 ' HA ' ' A' ' 140' ' ' ALA . 5.2 p30 -137.57 6.91 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.061 0.458 . . . . 0.0 110.081 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.92 24.04 72.88 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.713 -0.676 . . . . 0.0 114.236 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 48.5 t80 -85.98 92.46 8.69 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.932 0.866 . . . . 0.0 111.265 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.8 ttt180 -79.64 113.21 17.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.989 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.15 168.27 38.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.627 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.604 ' OE1' ' HD3' ' A' ' 73' ' ' ARG . 9.6 pt-20 -106.89 126.31 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.476 HD22 ' C ' ' A' ' 86' ' ' GLU . 4.0 mm? -126.94 171.31 11.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.847 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.2 m -86.97 165.49 15.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.843 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.99 -28.33 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 94' ' ' ILE . 12.9 t70 -79.88 -56.41 4.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.53 -18.04 49.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.473 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.621 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -95.62 -33.29 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.063 0.459 . . . . 0.0 110.14 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 97' ' ' THR . . . -63.08 -23.37 65.94 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.632 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 128' ' ' ALA . 5.2 mm -67.28 -48.02 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 0.0 110.139 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.94 -22.57 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.352 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.476 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -75.47 -47.91 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.558 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.589 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.8 t -75.01 -42.46 57.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.436 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 141' ' ' ILE . 46.5 mt -54.09 -53.06 58.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.68 0.276 . . . . 0.0 111.29 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 6.8 m-85 -56.29 -35.69 67.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.879 0.371 . . . . 0.0 110.966 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -64.06 -38.54 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.568 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.98 -42.38 94.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.029 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -70.3 -32.22 68.6 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.938 -0.648 . . . . 0.0 113.252 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.582 ' CD ' HD11 ' A' ' 37' ' ' LEU . 49.8 tt0 -73.95 -48.6 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.837 0.318 . . . . 0.0 111.373 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.6 -40.57 87.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.812 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.623 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -65.68 -33.23 75.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.682 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.72 -18.06 42.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.067 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.28 -55.8 27.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.427 HD11 ' CA ' ' A' ' 114' ' ' ALA . 11.1 pt -65.94 130.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.821 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -44.26 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.01 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.98 109.38 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.863 0.364 . . . . 0.0 111.22 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.3 p -150.68 -173.62 4.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.044 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.9 -14.3 58.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.2 -29.77 34.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.618 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.427 ' CA ' HD11 ' A' ' 108' ' ' ILE . . . -65.64 -9.35 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.397 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -129.26 -4.38 4.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.72 -49.28 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 109.873 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.623 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.8 pp -63.66 -32.47 73.96 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.709 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.1 mm -48.74 -28.7 2.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.669 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.06 -47.49 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.219 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -54.21 -37.9 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.134 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -57.87 -60.34 3.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.41 -36.9 69.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.274 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -59.51 -57.63 12.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.195 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 65' ' ' TYR . 53.8 tp -63.11 -46.24 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -45.6 -37.46 5.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.549 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.16 66.24 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.663 -0.78 . . . . 0.0 113.499 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 9' ' ' THR . 57.5 t80 -70.24 -45.57 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.353 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -68.79 -10.05 54.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.521 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.09 -19.78 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.523 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.491 ' HA3' ' OE1' ' A' ' 6' ' ' GLN . . . -111.6 13.79 27.49 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.124 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 2.6 m-70 -79.65 159.69 71.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.629 0.214 . . . . 0.0 110.68 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.478 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 19.7 Cg_endo -59.47 -26.71 82.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.58 2.187 . . . . 0.0 111.92 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.478 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 3.5 mp0 -113.08 19.35 17.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.708 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.5 -47.39 5.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.254 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.82 -42.91 58.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.767 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.91 57.38 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.521 HG21 ' HB1' ' A' ' 128' ' ' ALA . 88.3 mt -65.59 -51.85 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -66.73 -34.98 79.04 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.494 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 13.7 ptm180 -74.41 -31.01 62.16 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 78' ' ' VAL . . . -64.16 -32.82 74.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.699 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.552 HD13 HD13 ' A' ' 98' ' ' LEU . 48.9 pt -95.44 -14.6 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -159.41 -2.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 3' ' ' THR . 8.9 m 65.46 1.26 1.61 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -133.59 137.71 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.78 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.45 134.24 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.559 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 8.1 pt20 -101.18 133.3 21.04 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 11.6 Cg_exo -72.45 3.66 4.03 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.676 2.251 . . . . 0.0 111.869 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.559 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 40.6 t -75.49 125.89 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 114.636 -1.165 . . . . 0.0 111.466 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 56.6 p -142.91 139.06 30.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.948 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -81.09 176.51 9.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.7 t -157.47 156.14 31.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.566 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.2 tp -85.71 117.66 24.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -78.88 146.16 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -54.64 150.67 9.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.906 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.51 -32.24 72.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.22 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.74 -5.5 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.528 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.5 mm-40 -112.35 -15.74 13.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.625 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 17.5 ptm180 -73.38 -17.86 61.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.601 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.525 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.7 pp -72.93 -26.11 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' N ' HD12 ' A' ' 19' ' ' LEU . 7.4 t70 -110.55 -16.29 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.558 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 11.1 t80 -67.29 -33.83 76.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.965 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 11.8 tp -65.35 -54.7 30.01 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.977 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 51.8 Cg_endo -69.93 -10.97 29.69 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.087 1.858 . . . . 0.0 112.102 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' CD1' ' A' ' 25' ' ' TYR . 8.4 m -91.23 -39.82 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CD1' HG22 ' A' ' 24' ' ' THR . 24.9 m-85 -104.47 -28.01 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.4 t80 -99.78 -38.88 8.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.48 138.19 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.321 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.572 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 29.6 Cg_endo -62.94 -20.59 71.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.453 2.102 . . . . 0.0 112.224 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' NE ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -101.87 -28.4 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.944 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 9.1 mp -75.97 -33.32 59.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.517 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.1 ptm -32.67 -40.61 0.05 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -97.93 -40.02 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.872 -179.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.944 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 11.5 ptm180 -71.33 -11.31 60.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.735 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -103.95 -44.07 1.69 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.771 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 12.1 pt-20 -60.04 -37.69 80.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.38 -18.6 60.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.902 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 1.8 mt -81.41 -37.2 28.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.755 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 4.1 m -70.7 -37.99 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.775 0.322 . . . . 0.0 111.051 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -27.99 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -58.42 -37.96 76.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.6 m95 -82.08 -32.66 30.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.9 tpp -63.8 -52.59 59.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.74 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -19.32 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.9 mtp180 -84.33 -23.29 30.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD22 HG12 ' A' ' 78' ' ' VAL . 22.0 mt -69.81 -28.12 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.398 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 47.4 t -130.33 137.9 50.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.732 0.301 . . . . 0.0 110.764 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.3 pt-20 -76.51 -25.02 53.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.639 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 75.8 mtp180 -109.16 48.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.022 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.665 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.2 t80 -114.66 97.5 6.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.206 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.32 -54.02 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 167.19 -173.47 42.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.16 177.02 1.98 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.921 0.391 . . . . 0.0 111.246 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -92.08 94.82 9.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.688 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 79.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.415 ' HB3' HD11 ' A' ' 12' ' ' LEU . 88.5 m-70 -50.25 131.91 24.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.377 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 22.7 m-30 -80.39 132.25 35.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.111 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 11' ' ' SER . 46.8 m-85 -117.87 141.05 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.155 0.502 . . . . 0.0 111.92 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.39 104.74 14.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.494 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.8 mt -85.76 152.65 22.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' HG13 ' A' ' 8' ' ' VAL . 57.8 m -62.76 -29.42 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 8' ' ' VAL . 98.5 m-20 -88.66 6.34 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.29 7.71 64.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.24 -48.0 86.1 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.298 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 56' ' ' TYR . 29.4 t80 63.21 121.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.945 0.402 . . . . 0.0 111.311 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.627 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.5 p90 -133.63 148.36 51.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.554 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 71.7 mtp -105.31 135.16 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.902 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -130.69 123.73 20.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 38.8 Cg_exo -59.96 164.36 12.24 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.577 2.185 . . . . 0.0 111.757 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.7 t70 -107.66 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.711 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 2.9 mm? -134.46 102.66 5.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.209 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.68 112.81 20.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.65 -148.28 18.66 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -112.89 111.52 22.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.966 0.412 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.89 114.45 27.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.554 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' OE2' ' HB3' ' A' ' 86' ' ' GLU . 15.2 mm-40 -57.22 108.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.822 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 46' ' ' CYS . 3.0 mm -123.97 106.63 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.003 0.43 . . . . 0.0 111.235 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.47 106.25 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.22 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG12 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -72.84 111.08 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.763 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.529 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -83.25 22.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 178.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.14 -25.26 8.44 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.509 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 4.7 p30 -145.18 8.53 1.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.988 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.97 23.54 67.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.959 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.531 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 50.1 t80 -83.58 92.55 7.67 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 117.923 0.862 . . . . 0.0 111.154 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -82.23 114.1 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.037 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.71 128.78 1.38 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.762 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HB3' ' OE2' ' A' ' 75' ' ' GLU . 10.6 pt-20 -61.81 141.28 58.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.572 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.7 tp -151.48 146.61 26.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -62.44 155.19 26.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.711 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.11 -13.36 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -83.08 -59.2 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.122 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -69.19 -16.91 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.92 -36.39 12.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.821 0.343 . . . . 0.0 110.269 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.54 -19.14 40.34 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.316 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.06 -40.21 80.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 141' ' ' ILE . 40.8 t -73.44 -33.85 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.5 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -66.58 -46.98 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.738 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.627 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.3 t -71.59 -44.21 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.528 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.4 mt -54.53 -52.07 63.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.291 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 4.9 m-85 -55.54 -35.07 65.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.57 -39.39 93.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.423 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 95.4 mt -62.89 -45.26 93.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.993 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.54 94.76 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.222 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -75.21 -46.26 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 0.0 111.174 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 117' ' ' LEU . 2.4 tm? -56.84 -34.55 67.86 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.571 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.569 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.03 -15.97 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.467 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.78 -35.9 29.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 104' ' ' LEU . 22.0 pt -87.35 120.54 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.215 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.47 179.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.207 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 66.14 146.09 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.009 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 111' ' ' THR . 4.4 m -90.59 16.5 8.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.64 -70.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.57 -23.67 53.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -7.22 51.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -125.7 -7.03 6.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.34 -49.82 7.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.168 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 104' ' ' LEU . 2.2 pp -63.79 -30.67 71.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.626 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 118' ' ' ILE . 18.1 mm -48.92 -28.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.832 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -46.23 62.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.981 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -61.78 -37.36 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.432 -179.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.423 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 10.0 t80 -57.23 -50.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.755 0.312 . . . . 0.0 110.698 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -64.05 -34.2 77.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.62 -56.74 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 65' ' ' TYR . 61.9 tp -61.84 -47.4 85.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.6 -37.03 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.35 78.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.679 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 71.6 t80 -71.59 -25.78 62.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.513 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.2 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.653 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.51 -21.97 66.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.58 -13.32 67.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.043 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 132' ' ' PRO . 27.1 m-70 -71.41 144.92 89.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.565 0.221 . . . . 0.0 111.003 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 131' ' ' HIS . 33.6 Cg_exo -61.8 -13.72 32.19 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.636 2.224 . . . . 0.0 111.834 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -118.34 21.14 12.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.778 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -40.5 -45.35 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.451 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -54.07 -44.59 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.564 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -72.49 -39.72 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.749 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 91' ' ' ALA . 95.8 mt -62.05 -54.14 38.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.8 p90 -64.66 -36.16 83.37 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -178.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 15.6 ptm180 -74.77 -23.5 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 109.954 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -73.07 -36.6 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.884 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -90.94 -11.86 9.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.966 -179.859 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -85.15 0.52 51.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p -58.77 -20.7 52.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -104.74 132.54 50.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.634 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -131.44 141.66 49.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.2 pt20 -109.51 135.56 20.32 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.747 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 11.8 Cg_exo -71.03 -2.48 11.15 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.744 2.296 . . . . 0.0 112.796 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 61' ' ' ASP . 20.8 t -127.24 136.17 61.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.283 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 72.9 p -139.84 139.82 36.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -91.16 174.3 7.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 46.9 t -157.03 166.56 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.8 tp -99.05 117.99 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.586 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.1 p -85.33 152.57 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.273 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.16 159.8 0.42 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.307 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.3 pt-20 -77.04 -25.12 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.423 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.24 -9.05 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.668 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -113.88 -18.17 11.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.697 0.284 . . . . 0.0 111.258 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.708 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.5 ptm180 -66.59 -21.4 66.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 pp -77.55 -19.49 55.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.465 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 25.1 t70 -104.63 -19.36 14.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 0.0 110.713 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 64' ' ' PHE . 24.6 t80 -65.52 -43.49 89.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -59.27 -54.32 57.35 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.181 -179.757 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.54 -18.83 33.06 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.138 1.892 . . . . 0.0 112.407 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 m -81.65 -33.15 31.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.917 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -103.87 -18.74 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -112.73 -41.01 3.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.025 0.441 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.02 137.68 3.86 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 19.2 Cg_endo -58.68 -12.63 14.97 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.425 2.083 . . . . 0.0 112.012 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.562 HH21 ' HE ' ' A' ' 33' ' ' ARG . 6.4 tpt180 -101.95 -39.11 7.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.485 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 10.2 mp -71.06 -28.69 64.55 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -34.36 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ptm -98.69 -37.32 9.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.742 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.562 ' HE ' HH21 ' A' ' 29' ' ' ARG . 99.8 mtt180 -64.9 -22.83 67.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -99.55 -41.28 2.98 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.56 -41.48 85.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -28.34 62.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.603 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -72.67 -42.49 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.6 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 0.6 OUTLIER -64.75 -41.19 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.785 -179.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -26.75 59.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.5 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -63.7 -44.69 92.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.752 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.568 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.2 m95 -69.71 -31.69 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.426 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 8.3 tpt -64.99 -51.4 61.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.807 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 37.5 ptt180 -61.08 -13.28 15.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -88.78 -28.43 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.703 HD22 ' HA ' ' A' ' 78' ' ' VAL . 35.4 mt -76.91 -28.18 55.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.716 ' HB2' HD13 ' A' ' 76' ' ' ILE . 43.6 t -126.58 130.6 50.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.698 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -76.53 -23.35 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.06 0.457 . . . . 0.0 110.2 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.518 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 25.9 mmm180 -105.61 47.74 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.921 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.605 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -118.09 97.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.108 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.567 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -83.24 -71.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.332 . . . . 0.0 110.844 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.05 165.45 31.2 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.318 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.86 33.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.827 0.346 . . . . 0.0 111.573 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.68 94.69 9.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 64.6 m95 -75.96 80.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.129 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 82.2 m-70 -53.24 146.3 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.375 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 23.2 m-85 -92.37 129.29 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.356 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HA ' ' O ' ' A' ' 11' ' ' SER . 47.2 m-85 -114.76 140.09 49.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.439 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.31 101.49 11.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.572 ' HB3' ' H ' ' A' ' 62' ' ' GLY . 10.0 mt -74.68 145.15 43.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.2 m -70.8 -25.5 62.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.258 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' HB2' HG22 ' A' ' 8' ' ' VAL . 6.6 m-20 -153.44 14.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.921 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.629 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -116.84 11.65 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.457 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.06 -82.83 1.21 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.132 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.676 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 31.6 p90 179.61 142.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 67' ' ' ALA . 1.4 p90 -132.36 149.08 52.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.712 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.438 ' SD ' HG11 ' A' ' 38' ' ' VAL . 59.3 mtp -104.71 133.84 48.87 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.396 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -129.81 130.6 23.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.955 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 54' ' ' TRP . 44.0 Cg_endo -67.63 159.81 50.93 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.429 2.086 . . . . 0.0 111.762 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.62 ' C ' HD22 ' A' ' 70' ' ' LEU . 25.9 t70 -100.73 84.23 2.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.542 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -138.25 110.78 7.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.61 112.89 24.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.98 -156.3 25.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.632 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -106.55 111.82 24.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.044 0.45 . . . . 0.0 110.73 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 70' ' ' LEU . 72.7 mt -99.03 132.48 44.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.079 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 9.6 pt-20 -85.51 93.21 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.935 0.398 . . . . 0.0 110.666 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.716 HD13 ' HB2' ' A' ' 46' ' ' CYS . 4.1 mm -109.32 105.04 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 111.32 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -99.51 104.25 16.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.895 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.703 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -73.15 110.0 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.503 -179.797 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -33.92 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.112 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.63 -33.08 8.53 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.798 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.491 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.6 p-10 -133.4 8.58 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.63 52.06 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 113.485 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 46.7 t80 -89.13 112.42 23.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.484 0.642 . . . . 0.0 111.312 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -96.47 112.79 24.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -159.85 130.26 2.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.04 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 38.6 mt-10 -71.1 124.57 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.557 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 91' ' ' ALA . 3.0 mm? -127.89 164.43 22.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.03 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.0 p -84.55 156.35 21.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.879 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -52.37 -28.36 19.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.54 -56.65 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.283 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' A' ' 87' ' ' LEU . . . -67.31 -15.68 63.83 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.89 -36.66 13.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.546 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.572 ' O ' HG22 ' A' ' 97' ' ' THR . . . -60.94 -14.68 39.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.566 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 128' ' ' ALA . 3.8 mm -74.16 -40.86 51.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.081 0.467 . . . . 0.0 110.603 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.834 HG13 HG22 ' A' ' 141' ' ' ILE . 61.5 t -76.61 -27.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.819 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' C ' HG23 ' A' ' 38' ' ' VAL . . . -72.87 -50.5 23.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.6 ' HA ' ' HB ' ' A' ' 38' ' ' VAL . 5.6 t -69.86 -41.23 75.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.663 0.268 . . . . 0.0 111.082 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 124' ' ' LEU . 20.2 mt -56.44 -50.79 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.499 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HE1' HG22 ' A' ' 141' ' ' ILE . 5.9 m-85 -57.79 -31.4 66.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.709 0.29 . . . . 0.0 111.36 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.99 -41.3 91.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -57.07 -41.17 78.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.413 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.27 77.08 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.593 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 37' ' ' LEU . 21.9 tt0 -77.98 -48.67 15.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.966 0.383 . . . . 0.0 111.551 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 37' ' ' LEU . 83.3 mt -60.01 -40.32 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.434 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -62.03 -34.74 76.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.99 -9.22 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -89.79 -42.32 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.475 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 114' ' ' ALA . 34.1 pt -67.71 -6.31 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.442 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.08 -163.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.308 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 61.15 -176.55 0.12 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 p -127.44 -6.04 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.51 -65.0 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.579 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -79.8 -15.41 57.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.086 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.424 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -78.31 -5.56 52.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -119.41 -12.05 9.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.724 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.83 -51.05 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -68.35 -17.0 64.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 117' ' ' LEU . 15.4 mm -63.46 -31.96 54.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.67 -43.7 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.831 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 10.4 mpt_? -56.79 -37.61 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.957 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -70.28 -51.66 28.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -52.05 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.686 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.629 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 23.5 m-85 -88.36 -50.76 6.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.087 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' ' 98' ' ' LEU . 4.3 tt -49.84 -56.14 11.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.432 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.651 ' NH1' HD11 ' A' ' 141' ' ' ILE . 21.4 ttt85 -46.79 -40.6 13.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.36 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.17 -34.17 88.24 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.51 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.49 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 76.1 t80 -69.92 -35.03 74.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -63.05 -18.36 63.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.27 -26.94 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.029 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.89 -3.21 90.66 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.249 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -82.0 151.9 67.73 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 120.583 0.23 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.42 -18.42 49.54 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.566 2.178 . . . . 0.0 112.026 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.77 16.68 21.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.566 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.77 -44.99 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.139 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -54.48 -44.69 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.548 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.674 ' HA ' ' NE ' ' A' ' 139' ' ' ARG . . . -70.57 -36.02 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.5 mt -67.33 -51.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.6 p90 -66.64 -35.4 80.07 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 136' ' ' ALA . 40.5 ptt180 -74.14 -33.16 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.105 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.65 -30.45 71.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.494 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.834 HG22 HG13 ' A' ' 95' ' ' VAL . 42.6 pt -96.96 -15.59 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.984 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -105.76 -5.21 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 3' ' ' THR . 7.0 m 62.07 7.16 2.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.3 -3.3 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -151.79 108.63 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.77 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' CD ' ' HA3' ' A' ' 130' ' ' GLY . 4.6 pt20 -86.66 126.23 64.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.2 Cg_exo -71.4 -0.65 8.49 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.858 2.372 . . . . 0.0 112.656 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.9 t -127.27 140.08 50.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.257 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.5 p -146.44 142.69 28.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -87.35 171.44 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -155.01 167.66 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.75 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.66 HD11 ' NH2' ' A' ' 18' ' ' ARG . 13.5 tp -92.27 129.29 38.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG22 ' HB2' ' A' ' 58' ' ' ALA . 16.6 t -89.5 153.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.328 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -59.49 145.22 44.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.922 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -63.7 -26.41 68.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.485 -179.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.01 -9.49 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -111.72 -14.55 13.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' NH2' HD11 ' A' ' 12' ' ' LEU . 16.1 mtt180 -66.33 -32.47 73.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.27 -23.16 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.646 ' N ' HD12 ' A' ' 19' ' ' LEU . 8.2 t70 -115.74 -8.23 12.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.292 . . . . 0.0 111.407 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.66 -35.1 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.755 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 1.1 mm? -65.41 -54.97 27.69 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 37.2 Cg_endo -66.71 -8.45 21.24 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.948 1.766 . . . . 0.0 111.591 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m -89.87 -45.69 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.514 -0.767 . . . . 0.0 112.316 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HE2' ' HA2' ' A' ' 62' ' ' GLY . 11.1 m-85 -97.75 -36.97 10.05 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -89.87 -44.94 9.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 110.077 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 136.9 148.17 5.42 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.09 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 15.0 Cg_endo -56.75 -23.45 49.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.432 2.088 . . . . 0.0 112.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -95.65 -46.44 6.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.379 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 26' ' ' PHE . 82.5 mt -65.59 -27.29 68.31 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.471 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -33.79 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.706 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.8 ptp -105.58 -37.98 6.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 0.0 110.446 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 4.5 mmp_? -66.3 -15.35 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.059 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -106.38 -43.64 1.45 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.365 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.706 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.6 pt-20 -56.4 -34.12 66.42 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.93 65.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.018 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD21 ' HG2' ' A' ' 103' ' ' GLN . 9.6 mt -70.31 -41.43 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.987 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' GLU . 2.9 m -63.91 -39.97 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.788 0.328 . . . . 0.0 111.132 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -78.25 -28.4 47.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -59.38 -47.26 86.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.8 m95 -70.83 -33.53 70.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HE1' ' HB1' ' A' ' 92' ' ' ALA . 2.4 tpt -59.04 -37.47 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.396 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 17.2 ptm180 -84.54 -13.13 52.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 53.6 mtp180 -83.92 -10.21 58.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.633 ' HB2' HD12 ' A' ' 76' ' ' ILE . 21.7 mt -93.16 -18.64 22.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.66 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.5 t -146.45 120.18 9.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.414 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -26.28 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.183 0.516 . . . . 0.0 110.045 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -91.77 41.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -117.16 98.82 6.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -82.77 -17.41 44.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.3 139.3 10.46 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.84 -158.9 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.728 0.299 . . . . 0.0 111.186 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -92.91 99.56 12.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.768 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.504 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -80.78 80.46 7.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.001 -179.379 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.496 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 86.6 m-70 -50.33 148.09 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.352 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HE1' ' HE3' ' A' ' 66' ' ' MET . 14.5 m-85 -91.77 133.15 35.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.072 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -117.88 141.93 47.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.698 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB2' HG22 ' A' ' 13' ' ' VAL . . . -106.7 93.33 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.599 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 7.0 mt -66.15 146.8 54.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.7 t -68.82 -19.27 64.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.584 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -88.87 -32.27 17.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.343 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA2' ' HE2' ' A' ' 25' ' ' TYR . . . 111.14 34.17 2.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.3 -42.93 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.438 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 7.1 t80 63.51 114.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.969 0.414 . . . . 0.0 111.333 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -130.33 146.94 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.447 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 73.1 mtp -104.73 132.84 50.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.51 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.99 125.13 23.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.464 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HG3' ' HD1' ' A' ' 54' ' ' TRP . 35.2 Cg_exo -59.29 157.14 31.82 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.516 2.144 . . . . 0.0 111.786 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.496 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 27.9 t70 -100.84 83.91 2.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.402 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.717 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 62.6 mt -142.52 115.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.689 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.48 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.516 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.24 -166.99 27.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.754 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -94.43 106.33 18.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 70' ' ' LEU . 57.6 mt -100.46 109.35 21.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.375 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.46 95.75 0.84 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.086 0.47 . . . . 0.0 110.323 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -111.36 110.75 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.783 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -85.53 105.12 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.179 0.514 . . . . 0.0 109.985 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 140' ' ' ALA . 23.4 t -72.7 95.04 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.413 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -64.66 -34.09 77.47 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.779 0.323 . . . . 0.0 110.723 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.06 -29.44 0.2 Allowed Glycine 0 CA--C 1.519 0.341 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.315 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.562 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.4 p30 -153.64 14.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 0.0 111.317 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.06 19.01 73.44 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.79 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 49.3 t80 -83.75 93.01 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.215 0.507 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -80.49 109.58 15.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.983 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.85 116.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.988 -1.101 . . . . 0.0 113.457 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.74 124.75 24.78 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.3 tp -138.48 178.38 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.131 -178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -80.85 160.07 24.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.717 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -60.84 -23.04 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.04 -59.28 2.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.35 -12.49 60.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' HB1' ' HE1' ' A' ' 42' ' ' MET . . . -92.54 -34.46 14.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.002 0.429 . . . . 0.0 110.024 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.538 ' O ' HG22 ' A' ' 97' ' ' THR . . . -65.18 -18.51 65.07 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.363 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mm -68.37 -43.44 84.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.085 0.469 . . . . 0.0 110.186 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.645 HG13 HG22 ' A' ' 141' ' ' ILE . 37.5 t -76.19 -23.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -74.03 -47.5 36.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.474 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 65' ' ' TYR . 7.1 t -75.85 -43.09 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.635 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -51.95 -51.03 59.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.531 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 8.2 m-85 -58.77 -32.66 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -62.72 -43.66 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.42 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 72.2 mt -56.38 -41.09 75.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.44 -30.98 73.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.668 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' HD21 ' A' ' 37' ' ' LEU . 3.1 tp-100 -71.76 -49.61 37.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.498 HD12 HD22 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -59.72 -46.39 89.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.17 -179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.506 ' CA ' HD21 ' A' ' 117' ' ' LEU . . . -65.04 -10.69 31.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.391 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.45 -25.34 12.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.115 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 16.2 mm-40 -70.07 -19.34 63.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 114' ' ' ALA . 14.3 pt -115.51 106.36 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.23 15.67 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.61 163.62 4.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.5 p -99.15 -12.92 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.265 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -92.31 -47.85 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -98.03 -152.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 108' ' ' ILE . . . 67.58 -9.61 0.42 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.776 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 113' ' ' ALA . 12.2 m-20 -128.83 -6.8 5.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.396 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -86.63 -47.09 9.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.875 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 105' ' ' ALA . 1.8 pp -65.21 -29.84 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.45 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 118' ' ' ILE . 12.5 mm -50.03 -31.34 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.451 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -53.2 -45.27 68.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.59 179.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 120' ' ' ARG . 11.0 mpt_? -57.11 -34.35 68.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.42 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 22.0 t80 -70.64 -47.46 59.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.896 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -60.32 -33.5 72.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.156 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.31 -51.76 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 65' ' ' TYR . 3.9 tt -52.02 -54.59 28.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.318 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.403 ' CZ ' ' HE1' ' A' ' 121' ' ' TYR . 39.1 ttm180 -44.79 -40.3 5.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.592 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.85 -36.92 93.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.703 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.434 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 85.6 t80 -70.62 -33.01 70.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 131' ' ' HIS . . . -61.51 -25.31 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . . . -73.17 -26.74 61.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.478 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -84.39 -7.55 84.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.39 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 8.1 m-70 -70.0 152.15 95.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.614 0.245 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.89 -4.36 11.17 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.515 2.143 . . . . 0.0 111.81 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -134.15 27.31 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.309 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 138' ' ' TYR . . . -41.62 -42.85 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.976 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.42 94.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.319 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.24 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 110.969 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' ' 141' ' ' ILE . 53.5 mt -77.82 -27.67 15.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.618 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' ' 134' ' ' ALA . 1.2 t80 -69.85 -47.42 62.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.933 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 3.8 ptm180 -76.71 -26.69 54.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.701 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.444 ' HA ' HG11 ' A' ' 78' ' ' VAL . . . -66.91 -36.8 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.645 HG22 HG13 ' A' ' 95' ' ' VAL . 38.0 pt -93.79 -15.47 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.96 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.961 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -91.44 -9.04 46.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -75.95 -4.2 39.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -137.83 169.81 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -133.6 114.66 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.735 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.521 HE22 ' HA ' ' A' ' 127' ' ' PHE . 11.3 pt20 -65.3 152.78 91.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' THR . 58.5 Cg_endo -72.72 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.595 2.197 . . . . 0.0 113.403 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.544 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 30.4 t -45.21 124.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.91 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 7' ' ' PRO . 65.2 p -139.41 140.05 37.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.402 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.69 162.97 19.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 0.0 111.316 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -150.12 155.88 40.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' HIS . 20.5 tp -85.6 137.11 33.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -98.6 135.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -41.56 146.54 0.22 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.243 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 11.5 pt-20 -63.71 -23.97 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.956 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 -2.45 37.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -111.0 -20.96 12.23 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.236 0.541 . . . . 0.0 110.449 -179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.598 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 15.6 ptp180 -71.83 -17.05 62.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.661 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -77.7 -29.95 51.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.243 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 19' ' ' LEU . 27.4 t70 -107.0 -20.0 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.691 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 41.9 t80 -62.5 -26.63 68.65 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.582 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 26' ' ' PHE . 10.6 tp -73.75 -57.05 2.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.904 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 39.7 Cg_endo -68.18 -19.98 44.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.03 1.82 . . . . 0.0 112.519 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -92.32 -41.51 10.33 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -97.36 -45.63 6.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.46 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' HB2' HD12 ' A' ' 22' ' ' LEU . 1.7 t80 -77.49 -44.41 28.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.346 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.889 ' HA3' HD13 ' A' ' 30' ' ' LEU . . . 127.48 146.54 6.42 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.258 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.35 -12.21 34.24 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.507 2.138 . . . . 0.0 111.229 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.5 ' C ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -123.91 30.06 6.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.889 HD13 ' HA3' ' A' ' 27' ' ' GLY . 5.7 mp -138.95 -36.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.104 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.506 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -41.99 -49.24 4.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.294 179.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 24.2 ptm -88.46 -39.1 14.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.561 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HB3' HD11 ' A' ' 104' ' ' LEU . 19.3 mmm180 -55.43 -32.79 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.187 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.625 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -100.62 -36.74 3.93 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.192 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -55.56 -50.36 70.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.009 0.433 . . . . 0.0 110.351 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -68.93 -31.58 70.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.998 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.802 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -65.9 -42.42 90.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.64 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.7 m -72.82 -39.75 59.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -73.03 -31.58 64.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.833 -179.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -57.54 -49.39 76.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 110.116 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.521 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -64.67 -36.04 82.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.838 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.5 tpt -61.23 -49.16 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.768 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 4.5 ppt_? -68.97 -9.92 54.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.41 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 68.8 mtp180 -89.72 -17.28 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.719 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 76' ' ' ILE . 12.2 mt -83.48 -23.17 32.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.065 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 53.7 t -131.61 135.07 46.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.944 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.662 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 12.2 pt-20 -79.71 -19.02 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 110.139 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 42.1 mtm180 -112.53 47.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.572 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 2.3 t80 -113.46 93.3 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.787 -178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -80.98 -0.58 40.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.33 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.92 -175.42 15.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.878 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -174.24 174.46 2.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.663 0.268 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.21 96.62 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 0.0 110.968 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.84 78.55 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.169 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' HB3' HD11 ' A' ' 12' ' ' LEU . 82.3 m-70 -51.91 127.3 20.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.963 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.598 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 21.8 m-30 -73.88 131.47 41.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.302 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 40.7 m-85 -118.43 138.72 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.074 0.464 . . . . 0.0 111.675 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.72 97.5 7.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 HG12 ' A' ' 8' ' ' VAL . 9.9 mt -72.24 151.4 42.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 92.6 p -62.94 -27.09 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.199 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.26 -29.44 31.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.79 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.24 15.38 17.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.289 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HG3' ' A' ' 120' ' ' ARG . . . -71.65 -40.8 58.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.45 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE2' ' HB3' ' A' ' 56' ' ' TYR . 43.4 t80 62.92 113.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.913 0.387 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' HB2' HG21 ' A' ' 97' ' ' THR . 1.1 p90 -125.39 144.44 50.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.637 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.66 129.58 53.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.268 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -124.41 130.19 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.115 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 42.7 Cg_endo -67.72 159.54 52.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.515 2.143 . . . . 0.0 111.936 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -102.38 86.79 2.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.227 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 53.3 mt -144.28 101.79 3.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.835 0.35 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.88 143.15 30.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.493 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.31 177.79 24.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.736 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -82.43 121.61 26.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.143 0.497 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 pt? -129.57 123.66 31.92 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.782 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.6 pt-20 -66.84 112.9 4.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.285 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -124.91 109.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.76 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.2 pt-20 -81.2 112.82 18.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.331 0.586 . . . . 0.0 110.486 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 140' ' ' ALA . 21.6 t -79.34 90.92 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.337 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' ND2' HD23 ' A' ' 45' ' ' LEU . 8.1 p30 -63.69 -31.62 72.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.53 -30.8 0.93 Allowed Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 113.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.55 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.9 p30 -150.43 14.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.157 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.73 72.28 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.126 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.55 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 47.7 t80 -86.98 94.07 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -78.44 107.34 11.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.006 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.05 131.5 2.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.275 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.5 mt-10 -63.41 139.76 58.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 14.9 tp -153.0 140.13 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 111.115 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.8 m -61.98 160.34 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.29 -19.7 62.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.652 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -77.5 -60.4 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -67.63 -19.83 65.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.243 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.35 -36.64 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.551 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.81 -17.5 54.68 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.422 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -73.62 -38.25 51.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 141' ' ' ILE . 46.2 t -77.18 -26.46 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.351 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.534 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -71.93 -45.7 60.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.513 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.624 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.6 t -74.5 -43.43 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.807 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.1 mt -53.9 -54.5 37.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.644 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 7.1 m-85 -55.21 -30.74 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.502 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.802 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.87 -41.5 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.393 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 96.3 mt -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.635 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.86 -35.92 92.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.657 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -79.5 -48.81 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.942 0.371 . . . . 0.0 111.39 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' O ' HG12 ' A' ' 108' ' ' ILE . 20.1 tp -57.91 -24.76 59.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.635 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -76.96 -35.61 57.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.99 -6.02 54.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -94.44 -43.39 8.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.432 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 104' ' ' LEU . 45.4 pt -68.84 -44.52 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.443 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -170.99 -167.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.212 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -155.62 9.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.0 p -115.29 -65.8 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.317 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.45 -60.82 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 108' ' ' ILE . . . -89.67 86.23 6.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.417 ' H ' ' H ' ' A' ' 115' ' ' ASP . . . -177.4 -8.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.998 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 114' ' ' ALA . 4.6 p-10 -124.82 -8.7 7.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 119' ' ' ASP . . . -84.04 -51.02 7.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 110.237 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 105' ' ' ALA . 2.3 pp -62.74 -27.4 69.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.65 179.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 118' ' ' ILE . 16.3 mm -51.91 -27.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.471 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 0.2 OUTLIER -52.72 -42.86 65.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.728 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.522 ' HG3' ' HA2' ' A' ' 63' ' ' GLY . 3.2 mpt_? -58.79 -37.29 76.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.7 t80 -66.05 -48.67 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -55.98 -33.64 65.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -80.84 -55.65 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.018 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 65' ' ' TYR . 2.9 tt -48.92 -59.68 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -45.24 -36.97 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.94 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.46 -33.68 72.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.844 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.521 ' HA ' HE22 ' A' ' 6' ' ' GLN . 72.2 t80 -66.29 -35.63 80.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -62.06 -20.35 63.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.316 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.37 -29.31 68.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.02 -4.88 88.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.278 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 24.4 m-70 -83.73 146.11 48.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.13 -9.17 22.53 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.721 2.281 . . . . 0.0 112.435 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -119.62 19.74 12.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -45.8 -42.71 12.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -52.48 -43.3 64.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.578 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.01 -33.1 59.67 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.437 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -70.5 -51.92 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 2.0 p90 -64.35 -33.39 75.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.55 0.214 . . . . 0.0 111.414 -178.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -75.58 -33.04 60.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 109.895 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.37 -31.67 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.498 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.545 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . 2.8 pp -98.26 -10.0 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.204 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.895 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.821 0.343 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.75 136.18 39.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -105.22 -12.17 16.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.324 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -84.89 174.86 9.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.098 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -146.7 115.16 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.519 HE22 ' HD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -98.95 123.11 50.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.5 Cg_exo -69.8 8.64 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.875 2.384 . . . . 0.0 112.849 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.521 HG21 ' OD2' ' A' ' 61' ' ' ASP . 55.7 t -90.85 130.52 39.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.624 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.42 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 54.2 p -148.62 138.83 22.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.873 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -78.33 -177.31 5.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 35.1 t -159.5 155.8 27.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.15 116.68 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.89 152.16 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.151 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.25 157.91 1.29 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.08 -28.21 63.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.95 -6.47 38.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.408 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.8 mm-40 -109.7 -16.12 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.929 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.551 HH22 ' HA ' ' A' ' 55' ' ' HIS . 17.6 ptm180 -73.91 -25.88 60.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.643 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.4 pp -70.4 -25.9 63.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.133 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' N ' HD12 ' A' ' 19' ' ' LEU . 13.0 t70 -104.24 -17.91 14.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.77 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.0 t80 -66.34 -37.38 85.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.184 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 9.4 tp -61.23 -56.43 34.34 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.276 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.597 ' HB3' ' HA ' ' A' ' 28' ' ' PRO . 37.2 Cg_endo -66.16 -14.86 46.21 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.851 1.701 . . . . 0.0 110.977 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 1.7 m -72.25 -36.56 69.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.832 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CD2' HG22 ' A' ' 24' ' ' THR . 67.9 m-85 -119.49 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.951 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -40.12 -41.41 1.26 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.549 178.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.535 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 116.05 141.07 7.12 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.299 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 18.4 Cg_endo -58.98 -13.55 19.23 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.462 2.108 . . . . 0.0 111.847 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.74 -41.84 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.427 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.3 mp -68.11 -30.33 69.46 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -33.32 -35.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.553 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 23.5 ptp -103.68 -35.99 8.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.418 . . . . 0.0 110.24 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 23.2 mmm180 -70.12 -12.5 61.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.397 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.4 -45.14 1.01 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.654 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.553 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.8 pt-20 -58.29 -34.54 70.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.22 -29.69 60.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.593 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -73.6 -36.7 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 34' ' ' GLY . 3.1 m -69.9 -40.9 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -23.6 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -62.35 -40.7 97.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.4 m95 -75.73 -32.84 60.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.642 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.546 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.3 tpt -60.17 -47.2 86.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.361 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -67.13 -15.09 63.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.1 mtt180 -82.53 -19.22 39.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.1 0.476 . . . . 0.0 110.489 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' HB3' HG23 ' A' ' 76' ' ' ILE . 17.9 mt -82.24 -29.51 31.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.705 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.746 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 51.4 t -128.65 141.06 51.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.699 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.86 -21.77 37.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -115.83 50.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.916 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 4.0 t80 -111.1 94.76 5.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 -179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.31 -60.23 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.63 -173.27 43.27 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.658 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -174.99 177.34 1.98 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.755 0.312 . . . . 0.0 111.259 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -91.34 97.79 11.31 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.426 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.76 79.35 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.551 ' HA ' HH22 ' A' ' 18' ' ' ARG . 94.7 m-70 -48.46 142.3 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.365 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 18' ' ' ARG . 15.6 m-30 -84.94 128.57 34.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.405 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 45.2 m-85 -119.04 140.58 49.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.536 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.568 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.53 109.22 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.978 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 124' ' ' LEU . 9.7 mt -85.46 149.6 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.486 ' OG ' HG13 ' A' ' 8' ' ' VAL . 99.9 p -71.02 -25.28 62.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.428 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.521 ' OD2' HG21 ' A' ' 8' ' ' VAL . 14.7 m-20 -71.48 -33.45 69.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 111.155 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.29 14.37 10.85 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.015 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.15 -48.8 4.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.568 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 49.6 m-85 64.77 126.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.793 0.33 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.668 ' HB2' HG21 ' A' ' 97' ' ' THR . 5.1 p90 -140.84 168.57 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 0.0 111.504 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.441 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 23.5 mtm -124.5 146.91 48.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.565 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -137.21 125.42 14.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.317 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.632 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 47.8 Cg_exo -56.12 162.21 7.75 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 30.4 t70 -105.28 88.57 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.508 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.75 HD13 HD22 ' A' ' 74' ' ' LEU . 21.8 mt -138.6 109.58 6.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.671 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.85 107.64 19.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.61 -159.84 27.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.613 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -107.48 110.7 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.709 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.75 HD22 HD13 ' A' ' 70' ' ' LEU . 2.7 mp -115.91 116.2 27.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.1 106.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -117.34 108.39 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -80.35 116.78 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.135 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' A' ' 140' ' ' ALA . 18.6 t -88.08 93.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.395 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.79 -35.46 80.77 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.47 -27.87 0.17 Allowed Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.45 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.563 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.6 p30 -150.66 13.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.938 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.88 17.04 69.02 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.916 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 35.2 t80 -78.71 87.02 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -74.7 106.87 6.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -165.86 135.78 3.86 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.557 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.35 148.67 46.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.279 . . . . 0.0 110.27 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 8.0 tp -160.92 148.31 15.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.884 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -68.52 158.42 33.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -61.66 -8.77 4.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.439 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -86.59 -56.32 3.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.222 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -77.0 -10.26 59.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.92 -36.04 10.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.807 0.337 . . . . 0.0 110.421 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.623 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.44 -20.51 51.47 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.143 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.2 -41.01 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.584 HG13 HG22 ' A' ' 141' ' ' ILE . 21.3 t -73.06 -33.36 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.166 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.546 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.72 -46.42 72.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.854 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.668 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.0 t -72.23 -41.48 66.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.585 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 141' ' ' ILE . 25.0 mt -57.3 -50.48 72.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 95' ' ' VAL . 5.2 m-85 -57.55 -29.49 64.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.495 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.4 -43.03 86.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.329 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 88.6 mt -57.91 -41.85 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.314 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.83 -13.6 69.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.487 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 37' ' ' LEU . 25.4 tt0 -91.21 -45.28 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.952 0.376 . . . . 0.0 111.35 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' A' ' 37' ' ' LEU . 89.5 mt -63.35 -34.13 77.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.592 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -64.14 -38.8 92.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.274 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.76 -9.15 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.772 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -86.67 -4.95 59.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.615 0.245 . . . . 0.0 111.358 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.582 HG13 ' H ' ' A' ' 109' ' ' ALA . 23.0 pt -109.9 -53.64 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.582 ' H ' HG13 ' A' ' 108' ' ' ILE . . . -174.9 -156.18 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.747 0.308 . . . . 0.0 111.147 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.58 128.79 25.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 112' ' ' ASP . 90.9 m 64.53 125.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.912 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 111' ' ' THR . 12.2 m-20 72.02 14.98 5.68 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.593 0.711 . . . . 0.0 110.01 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.49 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -159.72 -51.66 0.06 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.116 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 109' ' ' ALA . . . -92.58 4.48 53.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.73 0.04 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.73 -59.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.618 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -64.15 -16.0 60.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.303 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.618 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.3 mm -61.28 -21.28 24.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.485 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -46.33 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.941 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.598 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 10.7 mpt_? -58.07 -40.48 81.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.077 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.413 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 31.6 t80 -54.43 -55.9 24.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.928 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -55.88 -30.27 61.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.598 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 18.2 m-85 -67.73 -58.38 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.57 HD13 HD11 ' A' ' 59' ' ' LEU . 36.0 tp -59.05 -50.55 73.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -45.94 -37.34 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.325 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.33 89.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.847 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.519 ' HD1' HE22 ' A' ' 6' ' ' GLN . 29.9 t80 -69.22 -29.21 67.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.921 0.391 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -62.96 -19.31 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.839 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.66 -25.55 49.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.59 -8.54 84.59 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.095 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -78.36 150.51 76.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.568 0.223 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.06 -21.95 62.64 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.487 2.125 . . . . 0.0 111.846 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.83 17.55 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.48 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.0 -48.74 4.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.211 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -50.93 -46.35 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.76 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.22 -38.32 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 91' ' ' ALA . 91.9 mt -66.68 -52.34 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.9 p90 -65.1 -36.1 83.22 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.76 -30.32 62.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.9 -34.37 78.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.689 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.584 HG22 HG13 ' A' ' 95' ' ' VAL . 49.9 pt -93.97 -13.37 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.984 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.963 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ptp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.809 0.337 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.3 p -113.54 -14.72 12.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -93.8 156.37 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -171.02 150.47 3.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.005 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.542 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 7.9 pt20 -132.66 108.31 13.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.92 4.96 1.22 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.824 2.349 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 61' ' ' ASP . 90.8 t -101.51 136.09 34.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.291 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.434 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 59.7 p -150.44 141.93 23.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -78.68 178.17 8.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.8 t -155.74 154.55 31.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.896 0.379 . . . . 0.0 111.235 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD11 ' NH2' ' A' ' 18' ' ' ARG . 17.7 tp -87.99 121.2 30.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.07 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.06 149.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.269 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -66.54 143.8 56.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.777 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -58.35 -31.33 67.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.645 -179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.74 -17.99 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -113.15 -13.07 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.371 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HD2' ' HA ' ' A' ' 15' ' ' GLU . 9.8 mtt180 -64.38 -34.18 77.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.885 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 20' ' ' ASP . 1.5 pp -63.65 -21.7 66.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.372 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.676 ' N ' HD12 ' A' ' 19' ' ' LEU . 31.7 t70 -111.71 -16.63 13.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.162 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 58' ' ' ALA . 19.6 t80 -63.31 -43.9 96.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.021 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -63.66 -52.73 56.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.637 -179.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 56.8 Cg_endo -70.5 -17.66 34.06 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.027 1.818 . . . . 0.0 112.709 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 m -85.95 -39.19 17.18 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -102.49 -28.97 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -97.42 -41.16 8.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.663 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 137.27 138.82 3.8 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.166 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 18.7 Cg_endo -58.94 -20.21 51.74 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.172 1.914 . . . . 0.0 111.442 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -98.18 -39.85 8.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.89 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.663 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.6 mm? -69.01 -29.3 67.46 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.542 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -32.06 -37.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.627 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 26.2 ptt? -105.05 -34.68 7.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.906 0.384 . . . . 0.0 110.395 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HE ' ' HG3' ' A' ' 32' ' ' MET . 3.6 mmp_? -66.97 -19.18 65.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -107.3 -42.61 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.385 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.712 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.0 tt0 -55.45 -36.27 66.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.92 -26.09 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.991 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.2 OUTLIER -70.75 -39.99 72.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.907 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 97' ' ' THR . 3.5 m -68.64 -42.26 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -75.27 -22.17 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.474 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -63.12 -40.93 99.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.722 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 91.7 m95 -75.32 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' A' ' 96' ' ' ALA . 34.5 tpp -62.04 -49.72 74.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.458 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -63.92 -17.79 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.389 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 66.9 mtp180 -81.5 -19.8 41.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB2' HD12 ' A' ' 76' ' ' ILE . 16.9 mt -88.58 -20.75 24.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.55 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.0 t -126.11 139.32 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.736 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.15 -22.93 30.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.155 0.502 . . . . 0.0 110.297 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -114.42 52.65 0.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.883 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.684 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.2 t80 -116.61 102.6 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.979 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -83.22 -67.09 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.54 176.02 41.16 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -167.14 167.42 14.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.895 0.379 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -93.18 96.65 10.15 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' CZ3' ' HD3' ' A' ' 68' ' ' PRO . 52.6 m95 -75.71 84.17 2.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.768 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 84.9 m-70 -55.35 128.67 35.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.862 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -72.26 131.05 42.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.68 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 38.3 m-85 -118.58 140.73 49.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 111.367 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.597 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.73 105.47 14.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 124' ' ' LEU . 13.4 mt -83.72 147.82 27.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m -79.92 -0.82 36.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.568 ' HB2' HG11 ' A' ' 8' ' ' VAL . 43.6 t0 -99.13 -9.37 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.829 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.07 59.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.677 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 120' ' ' ARG . . . -81.03 -55.23 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.385 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.597 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 62.4 m-85 64.25 120.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.775 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.647 ' HB2' HG21 ' A' ' 97' ' ' THR . 2.6 p90 -141.51 167.71 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.747 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.712 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 33.6 mtm -123.16 146.21 47.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.345 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 54' ' ' TRP . . . -137.36 137.29 22.0 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.315 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 33.6 Cg_endo -64.2 162.4 30.08 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.603 2.202 . . . . 0.0 112.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.635 ' C ' HD22 ' A' ' 70' ' ' LEU . 38.6 t70 -105.68 83.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.936 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -137.12 113.08 9.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.627 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.18 115.89 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.943 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.93 -152.95 20.91 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.727 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 9.9 mpt_? -111.46 117.67 33.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.474 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 70' ' ' LEU . 75.8 mt -102.97 116.44 32.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 39.6 tt0 -66.36 88.67 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.3 mm -109.15 106.81 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.563 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.8 pt-20 -82.88 119.38 24.32 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HA ' HD22 ' A' ' 45' ' ' LEU . 35.8 t -83.17 92.85 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.214 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -77.37 21.57 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.174 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 78' ' ' VAL . . . -95.51 -19.62 29.37 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.485 HD21 ' HA ' ' A' ' 140' ' ' ALA . 9.2 p30 -156.27 12.03 0.28 Allowed 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.758 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.74 19.84 79.75 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.72 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.426 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 55.1 t80 -91.45 96.18 10.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.423 0.611 . . . . 0.0 111.623 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -81.28 111.44 17.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.7 127.96 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 119.864 -1.16 . . . . 0.0 113.668 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.574 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 40.8 mt-10 -73.19 116.13 13.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mp -126.92 152.95 46.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.944 0.402 . . . . 0.0 111.477 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.0 p -73.74 162.25 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.282 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.68 -15.95 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -83.11 -57.35 3.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 94' ' ' ILE . . . -71.45 -8.19 52.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.843 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -102.2 -31.41 10.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.586 ' O ' HG22 ' A' ' 97' ' ' THR . . . -64.85 -13.7 57.16 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.22 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 91' ' ' ALA . 4.1 mt -80.67 -54.9 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.607 HG22 HG23 ' A' ' 141' ' ' ILE . 60.4 t -62.07 -23.4 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.425 ' HB2' ' CE ' ' A' ' 42' ' ' MET . . . -75.75 -47.06 27.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.466 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.7 t -75.28 -35.52 61.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.419 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 101' ' ' LEU . 30.9 mt -62.61 -50.12 72.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.969 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 141' ' ' ILE . 2.7 m-85 -57.4 -26.29 60.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.958 0.409 . . . . 0.0 110.737 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -76.08 -38.28 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD12 HD23 ' A' ' 98' ' ' LEU . 77.3 mt -58.08 -41.11 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.93 -28.09 72.27 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.267 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.605 ' NE2' HD11 ' A' ' 37' ' ' LEU . 21.8 tt0 -78.53 -47.71 16.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.955 0.377 . . . . 0.0 111.188 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.569 HD11 ' HA2' ' A' ' 34' ' ' GLY . 79.1 mt -60.25 -30.13 69.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.733 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HA ' HD21 ' A' ' 117' ' ' LEU . . . -74.33 -34.34 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.899 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.24 -13.51 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -77.77 -39.8 42.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 114' ' ' ALA . 36.8 pt -78.79 24.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.366 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.4 93.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 111.018 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -160.37 23.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.193 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.6 m 66.13 98.75 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -177.48 -86.7 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.137 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 115' ' ' ASP . . . -112.19 -97.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . 59.5 -0.58 0.17 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 113' ' ' ALA . 39.2 t70 -129.65 -8.33 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.87 -50.32 8.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.011 0.434 . . . . 0.0 110.161 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 105' ' ' ALA . 1.9 pp -64.21 -30.64 71.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.734 179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 17.7 mm -47.38 -31.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.688 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.475 ' HB3' ' CE2' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -49.92 -47.53 52.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.253 179.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.565 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 10.6 mpt_? -54.46 -40.2 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.305 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.94 -56.98 15.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -57.28 -27.82 62.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.467 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 119' ' ' ASP . 23.1 m-30 -72.76 -54.38 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.412 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 HD11 ' A' ' 59' ' ' LEU . 58.3 tp -63.17 -46.64 86.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.433 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -45.13 -35.38 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.583 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.02 -30.74 60.75 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.665 -0.778 . . . . 0.0 113.343 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.542 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 64.3 t80 -71.19 -34.86 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 111.594 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.625 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -76.71 -15.32 59.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.701 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.29 59.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.545 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -94.98 8.98 70.46 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.714 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.434 ' HB3' ' OE2' ' A' ' 133' ' ' GLU . 3.0 m-70 -83.16 151.28 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.524 0.202 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.415 ' HD2' ' OE2' ' A' ' 133' ' ' GLU . 32.3 Cg_exo -58.4 -26.5 77.87 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.637 2.225 . . . . 0.0 112.306 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 131' ' ' HIS . 1.1 pm0 -110.55 15.8 21.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -42.62 -40.98 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -48.74 -47.41 41.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.691 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.52 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.291 . . . . 0.0 111.768 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.625 HG21 ' HB1' ' A' ' 128' ' ' ALA . 81.3 mt -67.93 -52.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 3.0 p90 -64.37 -35.59 81.38 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 135' ' ' ALA . 8.0 ptp180 -73.48 -29.44 62.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.051 0.453 . . . . 0.0 109.88 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.485 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.74 -35.33 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.866 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.607 HG23 HG22 ' A' ' 95' ' ' VAL . 50.0 pt -89.14 -15.09 9.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.835 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 mmt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.687 0.28 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 56.93 91.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -98.02 16.01 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.84 163.38 21.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.36 -179.72 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.634 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 7.0 pt20 -57.33 162.57 4.2 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.3 -1.36 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.525 2.15 . . . . 0.0 113.054 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.634 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 98.5 t -121.56 134.07 66.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.603 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.477 ' HA ' ' CE1' ' A' ' 127' ' ' PHE . 41.7 p -148.73 141.33 24.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.193 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.28 -178.76 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 43.3 t -158.63 162.7 37.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 tp -96.92 124.17 40.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.57 151.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -52.53 155.34 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.012 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.93 -28.7 64.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.37 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.02 -4.28 49.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.509 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 25.1 mm-40 -114.71 -15.86 11.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 11.5 ptm180 -74.41 -24.82 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 20' ' ' ASP . 4.0 pp -67.53 -23.68 65.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 22.0 t70 -112.0 -15.51 13.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.207 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 18.5 t80 -65.06 -30.81 71.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.161 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . 13.0 tp -70.92 -55.28 6.82 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 22' ' ' LEU . 43.5 Cg_endo -68.89 -15.34 40.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.987 1.792 . . . . 0.0 112.162 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -87.73 -40.85 13.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -107.31 -30.24 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' O ' HD22 ' A' ' 30' ' ' LEU . 2.5 t80 -92.93 -39.7 11.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.522 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 135.86 135.55 3.46 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.217 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 22.9 Cg_endo -61.29 -20.84 69.84 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.264 1.976 . . . . 0.0 111.507 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.712 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 2.7 tmt_? -97.01 -40.1 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.778 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 26' ' ' PHE . 8.2 mp -66.11 -34.38 77.92 Favored 'General case' 0 C--O 1.224 -0.253 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.522 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -31.73 -40.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.029 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.614 ' HG3' ' HE ' ' A' ' 33' ' ' ARG . 21.9 ptp -101.32 -36.47 8.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.712 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 3.3 mmp_? -69.49 -12.7 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.605 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 38' ' ' VAL . . . -107.61 -43.63 1.32 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.232 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.778 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 38.5 tt0 -61.32 -43.56 98.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 0.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -56.6 -31.85 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.246 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD22 ' HG ' ' A' ' 104' ' ' LEU . 8.8 mp -77.83 -42.72 32.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.679 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 97' ' ' THR . 40.2 t -57.95 -41.75 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 111.012 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.79 -23.88 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -65.62 -42.06 91.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.592 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.498 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 93.3 m95 -73.79 -30.78 62.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.431 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.588 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 5.5 tpt -64.23 -52.83 56.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.606 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 39' ' ' TYR . 7.2 ptp180 -58.5 -14.25 7.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.508 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -86.16 -38.37 17.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.469 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 76' ' ' ILE . 18.9 mt -59.81 -31.72 69.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.601 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 45.8 t -121.71 154.24 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 110.3 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -92.5 -17.7 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -114.03 7.53 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.945 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.5 t80 -65.75 91.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.401 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -73.91 -39.69 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.899 179.147 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.48 -177.17 32.79 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.747 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -175.11 176.89 2.02 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.37 95.5 10.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 111.222 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.13 77.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 92.0 m-70 -52.55 140.81 21.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.506 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.1 m-30 -83.49 135.17 34.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.338 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 11' ' ' SER . 49.4 m-85 -123.01 142.93 50.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.492 . . . . 0.0 111.543 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -110.54 109.1 19.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.9 mt -84.25 147.46 27.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -75.17 -8.82 57.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.698 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HB2' HG11 ' A' ' 8' ' ' VAL . 7.8 t0 -91.9 -28.66 17.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.782 0.325 . . . . 0.0 110.824 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.6 16.05 9.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.425 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.76 -51.85 3.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 75.5 m-85 65.21 120.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 97' ' ' THR . 4.2 p90 -136.78 172.74 12.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.778 ' HE1' ' HA ' ' A' ' 35' ' ' GLU . 17.8 mtm -127.22 144.2 51.09 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.572 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -134.12 124.61 17.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.321 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 31.8 Cg_exo -58.47 161.88 13.51 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.558 2.172 . . . . 0.0 111.912 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.2 t70 -103.33 87.05 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.51 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 64.7 mt -140.33 113.04 8.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.803 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.92 159.84 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.246 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.91 -149.83 23.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.664 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -122.77 129.72 52.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.092 0.472 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -128.79 131.07 47.76 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.896 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.575 ' HA ' ' HG3' ' A' ' 86' ' ' GLU . 8.7 pt-20 -64.98 112.76 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.085 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.8 mm -123.72 104.68 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.857 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.743 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 42.2 mt-10 -81.68 128.22 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.454 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 80' ' ' GLY . 37.7 t -97.15 95.45 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.318 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -78.87 19.61 0.51 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.381 . . . . 0.0 110.82 179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' H ' HG12 ' A' ' 78' ' ' VAL . . . -92.34 -17.89 44.46 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.462 HD21 ' HA ' ' A' ' 140' ' ' ALA . 8.5 p30 -160.03 13.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.277 -0.462 . . . . 0.0 110.699 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.03 16.33 80.63 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.477 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -85.17 92.97 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.126 0.463 . . . . 0.0 111.493 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.743 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 54.1 ttp180 -84.02 111.53 19.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.29 140.39 6.95 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 119.664 -1.255 . . . . 0.0 113.88 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 75' ' ' GLU . 2.4 mp0 -74.41 135.64 42.39 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 tp -152.54 150.21 29.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.3 p -72.24 159.59 33.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.754 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.42 -11.72 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.234 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.01 -59.17 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.5 -10.7 59.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.398 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.08 -36.49 10.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.81 0.338 . . . . 0.0 110.386 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 97' ' ' THR . . . -59.89 -19.61 50.7 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.294 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -67.33 -38.91 81.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 141' ' ' ILE . 59.5 t -81.83 -24.07 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.16 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.588 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -66.04 -48.64 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.72 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.645 ' HA ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -80.75 -37.47 30.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.789 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 141' ' ' ILE . 2.0 tp -49.23 -54.21 17.77 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.008 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -59.17 -34.02 71.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 97' ' ' THR . . . -58.35 -43.15 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.602 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.5 mt -58.84 -41.02 85.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.808 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.42 -28.06 72.88 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.097 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.3 tt0 -76.32 -46.58 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.742 0.306 . . . . 0.0 111.048 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 37' ' ' LEU . 88.9 mt -58.07 -45.38 87.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.676 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.523 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -58.74 -34.47 71.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.31 36.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.806 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLN . 18.4 mm-40 -63.29 -37.08 85.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.222 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.8 pt -84.75 21.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.66 -168.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.6 109.07 11.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.8 m -156.18 -77.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.14 -41.96 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.52 -142.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.44 -1.82 1.17 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.66 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -126.99 -6.79 6.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.665 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.62 -55.23 3.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.625 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.57 -17.43 62.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.97 0.414 . . . . 0.0 110.099 179.544 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 117' ' ' LEU . 18.8 mm -60.68 -25.21 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.426 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -47.24 44.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.994 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 11.0 mpt_? -55.53 -38.78 69.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.97 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.75 -51.14 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.434 ' CD2' HG22 ' A' ' 118' ' ' ILE . 78.5 m-70 -60.99 -33.91 73.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 14.3 m-30 -64.9 -55.53 18.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.331 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.479 HD13 HD11 ' A' ' 59' ' ' LEU . 39.5 tp -64.88 -41.77 95.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.668 HH22 ' HB2' ' A' ' 138' ' ' TYR . 15.1 tpt180 -47.25 -35.49 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.361 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.93 -34.09 62.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.724 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.477 ' CE1' ' HA ' ' A' ' 9' ' ' THR . 53.7 t80 -69.79 -26.56 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.754 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.11 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.724 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.01 55.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.968 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.74 -14.97 78.85 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.182 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -70.67 148.85 95.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.632 0.253 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.66 -9.01 24.9 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.425 2.083 . . . . 0.0 111.396 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -119.31 21.58 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.116 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.57 3.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.291 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.07 -48.27 61.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.742 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.77 77.13 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.88 -50.92 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.668 ' HB2' HH22 ' A' ' 125' ' ' ARG . 1.5 p90 -66.25 -36.32 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -72.37 -33.92 67.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.404 . . . . 0.0 110.232 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.62 -33.92 76.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.755 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.66 HG22 HG13 ' A' ' 95' ' ' VAL . 36.0 pt -91.24 -21.23 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.305 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.948 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -145.5 141.77 28.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 m -108.22 -19.59 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.03 120.19 12.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -100.56 159.6 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 4.3 pt20 -139.94 116.42 8.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.012 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.8 Cg_exo -67.36 3.79 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.736 2.291 . . . . 0.0 112.695 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.84 HG13 ' HB3' ' A' ' 60' ' ' SER . 15.1 t -126.15 139.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.942 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 60' ' ' SER . 19.2 p -150.7 145.98 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.024 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -92.29 -177.48 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -166.46 147.68 6.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.2 tp -70.85 122.93 20.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.8 t -85.34 154.12 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.69 154.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.17 -26.74 56.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.309 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.99 -5.55 50.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.421 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -113.69 -20.96 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 10.4 ptm180 -70.58 -17.09 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 20' ' ' ASP . 3.6 pp -71.43 -24.29 62.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.63 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.4 t70 -111.36 -8.17 14.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.527 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t80 -61.02 -30.53 70.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.488 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 31' ' ' MET . 2.5 mm? -69.09 -57.43 7.51 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.626 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.55 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -66.59 -5.99 14.29 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.026 1.818 . . . . 0.0 111.744 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.9 m -94.98 -48.43 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.377 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -100.22 -34.96 9.8 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -88.84 -40.46 13.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.884 0.373 . . . . 0.0 110.389 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.55 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 130.92 143.43 5.28 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.183 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HA ' ' HB3' ' A' ' 23' ' ' PRO . 11.6 Cg_endo -55.13 -22.03 30.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.434 2.089 . . . . 0.0 111.821 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HE ' ' HG3' ' A' ' 33' ' ' ARG . 20.1 tpt180 -94.19 -48.71 6.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.308 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 104' ' ' LEU . 7.2 mp -65.83 -23.34 66.66 Favored 'General case' 0 C--O 1.223 -0.32 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.454 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.57 -39.02 0.43 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 27.0 ptm -106.03 -41.34 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HG3' ' HE ' ' A' ' 29' ' ' ARG . 16.1 mmm180 -65.46 -15.02 62.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.972 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.583 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -105.49 -44.24 1.47 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.402 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 15.0 pt-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.034 0.445 . . . . 0.0 109.898 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HA ' ' HD1' ' A' ' 39' ' ' TYR . . . -77.37 -31.88 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 tp -67.28 -38.96 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.024 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 34' ' ' GLY . 2.9 m -69.13 -37.07 76.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.376 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -79.45 -24.97 42.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.885 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.58 -41.29 98.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.374 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 94.6 m95 -66.74 -33.31 75.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.841 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.2 tpp -62.13 -49.18 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 7.5 ppt_? -65.4 -14.35 60.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.625 0.25 . . . . 0.0 111.154 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -82.14 -21.2 36.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.176 0.512 . . . . 0.0 110.181 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.649 ' HB3' HG23 ' A' ' 76' ' ' ILE . 9.2 mt -82.91 -25.02 32.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.581 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 44.8 t -135.2 125.32 26.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.675 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HG2' ' HG2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -69.89 -19.71 63.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.035 0.445 . . . . 0.0 110.749 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 18.8 mmm180 -113.04 44.68 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.942 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.9 t80 -110.91 96.94 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.402 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -68.26 -68.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.783 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 179.08 -173.06 45.26 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.652 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.7 3.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 28.1 m-85 -85.83 96.82 9.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.093 0.473 . . . . 0.0 111.249 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -72.41 77.44 1.03 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.519 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.67 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.4 m-70 -56.02 136.53 52.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.229 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.696 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 15.0 m-85 -86.79 134.52 33.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.264 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 61.4 m-85 -122.87 144.91 48.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 111.819 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.63 101.16 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.502 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 1.1 mm? -58.55 156.02 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.389 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.84 ' HB3' HG13 ' A' ' 8' ' ' VAL . 41.7 t -63.43 -22.24 66.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.03 0.443 . . . . 0.0 110.233 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -103.28 -42.47 5.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.845 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.03 9.0 2.0 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.755 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 120' ' ' ARG . . . -57.38 -38.68 88.11 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.362 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 23.8 t80 61.6 112.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.053 0.454 . . . . 0.0 111.653 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p90 -124.18 144.07 50.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.421 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.489 ' SD ' HG21 ' A' ' 38' ' ' VAL . 77.2 mtp -104.63 131.9 51.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.068 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.547 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -127.62 127.74 24.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 50.7 Cg_endo -69.27 162.7 40.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.6 2.2 . . . . 0.0 112.331 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t70 -101.27 90.18 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.762 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 75.8 mt -150.43 144.53 25.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.152 0.501 . . . . 0.0 111.284 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 170.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.447 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.51 172.24 40.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.115 -1.04 . . . . 0.0 112.871 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 74' ' ' LEU . 33.0 mmt180 57.15 87.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.699 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 73' ' ' ARG . 39.9 mt -136.73 121.71 18.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.679 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.53 110.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.039 0.447 . . . . 0.0 110.757 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HB3' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -135.67 112.86 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.026 -179.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 9.1 pt-20 -82.66 120.24 25.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.193 0.52 . . . . 0.0 110.048 179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 83' ' ' PHE . 48.1 t -90.03 93.19 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.328 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -64.24 -31.59 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.822 0.344 . . . . 0.0 110.76 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.57 -32.95 0.89 Allowed Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.237 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -150.71 15.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.732 0.301 . . . . 0.0 111.091 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.78 17.61 71.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 30.3 t80 -77.97 88.52 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.996 0.427 . . . . 0.0 111.095 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -78.14 106.06 9.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.879 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.51 133.97 3.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.141 -1.028 . . . . 0.0 113.19 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.62 152.27 45.68 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.7 tp -160.01 158.07 29.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 111.284 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 85.0 p -77.56 158.55 29.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.704 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -25.41 60.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.413 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -74.36 -58.7 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -13.22 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.229 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.54 -36.81 16.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.255 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 97' ' ' THR . . . -62.78 -18.25 59.16 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.574 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.74 -44.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.158 0.504 . . . . 0.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 141' ' ' ILE . 88.8 t -73.5 -24.56 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.382 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -73.35 -46.6 48.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.751 0.31 . . . . 0.0 111.345 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 93' ' ' GLY . 4.9 t -74.44 -44.94 49.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.39 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.591 HD13 HD13 ' A' ' 141' ' ' ILE . 24.4 mt -52.04 -49.32 63.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.36 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' ' HA ' ' A' ' 141' ' ' ILE . 5.4 m-85 -59.26 -34.93 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.37 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -64.44 -40.55 95.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.228 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 121' ' ' TYR . 89.7 mt -59.11 -43.65 91.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.95 -23.18 74.33 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.883 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -80.6 -46.22 16.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.636 0.255 . . . . 0.0 111.141 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.587 HD13 HD23 ' A' ' 30' ' ' LEU . 68.9 mt -58.05 -29.43 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.699 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -74.63 -28.57 60.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.04 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -97.64 -8.77 28.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.521 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -79.03 -51.18 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.972 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.2 pt -70.98 125.21 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.323 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.45 70.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.38 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.75 165.22 2.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 t -114.99 -25.07 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.304 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.39 -51.77 66.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.028 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.571 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -83.07 -13.37 55.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.41 -7.71 55.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.13 -11.38 7.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -50.07 10.85 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.615 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -61.91 -14.69 36.71 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.301 0.572 . . . . 0.0 109.638 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.718 ' N ' HD13 ' A' ' 117' ' ' LEU . 13.6 mm -70.12 -23.7 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.331 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -43.41 74.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.519 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.666 ' NE ' ' HA ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -72.8 -28.8 62.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 -179.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.459 ' HA ' HD13 ' A' ' 101' ' ' LEU . 43.1 t80 -61.94 -48.46 80.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.701 0.286 . . . . 0.0 110.67 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -57.52 -33.08 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.717 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -71.42 -54.93 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.447 ' HB3' HD21 ' A' ' 98' ' ' LEU . 1.9 tt -53.58 -55.01 29.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.753 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -45.17 -36.09 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.923 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.18 -35.14 88.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.945 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.581 ' HB2' HD11 ' A' ' 59' ' ' LEU . 41.6 t80 -65.06 -22.63 67.0 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.981 0.419 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.07 -7.3 59.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -97.51 25.16 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.244 0.545 . . . . 0.0 110.671 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.423 ' HA3' ' CD ' ' A' ' 6' ' ' GLN . . . -146.77 -3.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.021 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -80.08 155.13 75.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.611 0.243 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.476 ' HB2' ' OE1' ' A' ' 133' ' ' GLU . 21.0 Cg_exo -64.79 -20.17 64.67 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.649 2.233 . . . . 0.0 111.735 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.476 ' OE1' ' HB2' ' A' ' 132' ' ' PRO . 2.3 mp0 -112.58 19.51 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.207 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -44.03 -48.63 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.336 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.506 ' HA ' ' CE2' ' A' ' 138' ' ' TYR . . . -48.21 -45.55 34.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.036 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.18 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.04 -52.49 48.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.506 ' CE2' ' HA ' ' A' ' 135' ' ' ALA . 2.8 p90 -65.12 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -76.93 -31.39 56.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.158 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.79 -32.11 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.558 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.591 HD13 HD13 ' A' ' 98' ' ' LEU . 45.5 pt -97.54 -11.76 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.901 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.025 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.67 0.271 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 61.67 175.55 0.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.4 p -98.3 -23.29 15.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -148.7 -171.16 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.248 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 65.59 116.63 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.414 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.549 ' NE2' ' HA ' ' A' ' 127' ' ' PHE . 14.6 pt20 -156.62 103.82 1.98 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.984 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.21 7.49 1.76 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.899 2.4 . . . . 0.0 112.723 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 59' ' ' LEU . 4.4 t -98.35 129.82 48.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.566 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 p -145.5 139.36 26.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -80.87 -178.8 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 37.2 t -159.7 148.59 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.809 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.2 tp -90.22 120.4 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.195 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 14' ' ' ALA . 47.4 t -80.1 156.12 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 13' ' ' VAL . . . -58.95 159.72 6.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -73.21 -30.56 63.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.342 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.27 59.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -121.47 -19.6 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.681 0.277 . . . . 0.0 111.687 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 5.2 ptm180 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.537 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.7 -21.95 61.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.7 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.51 -11.76 13.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.828 0.347 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -72.76 -44.07 62.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.65 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -56.69 -52.67 71.82 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.695 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 54.4 Cg_endo -69.96 -19.84 34.65 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.078 1.852 . . . . 0.0 111.77 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 m -76.68 -36.08 57.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.621 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -102.0 -20.99 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.484 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -107.53 -40.62 5.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 -179.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 133.88 141.87 4.6 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.0 -13.1 21.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.396 2.064 . . . . 0.0 112.211 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 32' ' ' MET . 3.6 mmm-85 -103.24 -45.89 4.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 26' ' ' PHE . 10.2 mp -59.8 -31.8 70.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.776 -0.193 . . . . 0.0 111.328 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -36.62 -35.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 21.7 ptm -99.7 -34.0 10.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 0.0 110.486 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 79.5 mtp180 -68.02 -17.36 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.202 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -109.43 -41.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.679 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.3 tt0 -58.65 -42.88 89.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.52 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 40' ' ' ALA . . . -74.84 -23.98 58.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.379 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.622 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 0.4 OUTLIER -78.2 -34.33 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.342 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 34' ' ' GLY . 6.2 m -71.66 -39.77 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -79.44 -23.07 43.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.616 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 36' ' ' ALA . . . -61.93 -41.15 97.62 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.607 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 96.3 m95 -78.39 -27.32 46.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.532 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 7.2 tpt -67.93 -46.07 72.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.063 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.526 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 10.6 ptm180 -67.26 -20.15 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 111.272 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.19 -52.68 9.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.029 0.443 . . . . 0.0 110.421 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 78' ' ' VAL . 32.1 mt -48.99 -20.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.362 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.648 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -137.41 120.07 16.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG3' ' HG2' ' A' ' 48' ' ' ARG . 12.1 pt-20 -65.63 -25.89 67.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.052 0.453 . . . . 0.0 110.263 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.531 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 41.3 mmt180 -103.0 45.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.037 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.0 OUTLIER -116.07 98.01 6.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.958 -179.391 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -76.45 -53.8 7.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.915 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.01 -178.53 44.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.418 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.95 171.34 7.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 111.357 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 19.8 m-85 -89.05 93.27 9.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.316 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.37 77.53 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.168 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -48.88 137.27 12.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.313 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 16.6 m-85 -81.76 127.11 32.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.589 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 41.5 m-85 -120.99 141.53 50.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.58 113.32 23.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.033 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 63' ' ' GLY . 11.3 mt -88.46 149.75 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.2 m -65.55 -26.67 67.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.617 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.49 5.83 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.247 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.34 4.87 87.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -90.01 35.67 3.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.25 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 40.4 p90 -36.14 143.33 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.49 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' HB2' HG21 ' A' ' 97' ' ' THR . 8.6 p90 -137.61 172.05 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.627 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.424 ' CE ' HG21 ' A' ' 38' ' ' VAL . 65.6 mtp -122.44 143.78 49.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 65' ' ' TYR . . . -139.33 128.05 13.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.152 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.714 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 31.1 Cg_endo -64.48 165.26 20.77 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.582 2.188 . . . . 0.0 111.808 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 12.0 t70 -122.26 78.0 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.503 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 71.7 mt -118.05 -179.44 3.76 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.389 0.614 . . . . 0.0 111.315 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.99 -168.48 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.01 138.17 13.7 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.635 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 53.72 99.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.931 0.396 . . . . 0.0 111.081 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 70' ' ' LEU . 21.9 mt -121.11 130.54 53.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.1 tt0 -61.46 98.31 0.08 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.631 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.3 mm -121.62 106.37 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.197 0.522 . . . . 0.0 110.816 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 12.4 pt-20 -90.79 133.75 34.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.335 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.634 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -105.96 103.01 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.535 -179.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.6 m-80 -59.98 -33.14 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.13 0.49 . . . . 0.0 109.881 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.26 -37.27 3.25 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 113.308 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.508 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 8.2 p30 -143.17 16.64 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.836 0.35 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.96 27.62 57.05 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 114.683 0.633 . . . . 0.0 114.683 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 63.1 t80 -88.45 98.27 11.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 118.021 0.91 . . . . 0.0 111.168 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 5.6 mpt_? -86.14 119.12 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.34 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.9 146.15 10.57 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.822 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 38.9 mt-10 -86.23 106.01 17.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.72 0.295 . . . . 0.0 110.491 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.2 tp -117.74 147.91 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.7 p -65.31 159.04 24.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -62.99 -14.73 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.425 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -82.84 -57.39 3.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -72.83 -14.85 61.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.65 -35.14 14.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.198 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.714 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -58.55 -20.05 44.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 110.935 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.1 mm -67.14 -39.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.275 0.559 . . . . 0.0 109.699 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 141' ' ' ILE . 56.0 t -76.79 -29.06 17.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.341 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.587 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -67.52 -46.82 71.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.608 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 65' ' ' TYR . 4.1 t -74.29 -42.41 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.565 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.619 HD13 HD13 ' A' ' 141' ' ' ILE . 31.5 mt -53.6 -51.6 62.52 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -57.61 -28.86 64.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.738 0.304 . . . . 0.0 111.346 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -69.39 -36.82 77.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.648 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 121' ' ' TYR . 93.6 mt -62.68 -44.27 96.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.044 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.23 -34.48 90.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.97 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -70.31 -42.28 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.09 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.33 -44.16 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.62 ' HB2' HD11 ' A' ' 117' ' ' LEU . . . -62.28 -35.68 79.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.439 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.72 -15.89 40.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.792 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.81 -39.26 83.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.539 HD11 ' HA ' ' A' ' 114' ' ' ALA . 23.1 pt -84.7 13.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 64.52 154.88 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.259 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.13 97.79 8.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.7 p -133.51 -81.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -140.11 -52.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -68.65 -7.06 29.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.459 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -87.62 167.22 14.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.15 -1.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 114' ' ' ALA . . . -81.25 -51.33 8.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.374 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.63 ' C ' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -64.9 -19.31 65.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.783 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.409 ' N ' HD22 ' A' ' 117' ' ' LEU . 16.0 mm -58.52 -21.3 17.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.609 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.02 -43.75 19.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.768 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.593 ' HA ' ' HD2' ' A' ' 123' ' ' PHE . 6.5 mpt_? -61.93 -37.93 86.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.418 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 29.6 t80 -54.86 -52.86 61.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -54.59 -33.56 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.593 ' HD2' ' HA ' ' A' ' 120' ' ' ARG . 25.3 m-85 -67.46 -57.7 6.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 98' ' ' LEU . 55.4 tp -56.69 -52.96 62.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -47.82 -29.33 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.551 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -81.86 -27.63 45.33 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.89 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.549 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 61.4 t80 -73.38 -36.38 66.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.79 0.329 . . . . 0.0 111.079 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -64.66 -12.71 49.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.394 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.74 -19.16 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.078 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.98 -5.41 64.19 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.319 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 21.2 m-70 -79.28 150.13 73.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.517 0.199 . . . . 0.0 110.911 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.563 ' HB2' ' OE2' ' A' ' 133' ' ' GLU . 45.1 Cg_exo -56.74 -35.87 98.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.535 2.157 . . . . 0.0 112.449 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.563 ' OE2' ' HB2' ' A' ' 132' ' ' PRO . 8.3 mp0 -98.54 20.02 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.34 -46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.84 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.543 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.66 76.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.629 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 91' ' ' ALA . 97.1 mt -64.96 -52.14 57.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -66.4 -35.94 81.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.483 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -73.85 -30.89 62.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.961 0.41 . . . . 0.0 110.027 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.71 -34.4 78.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.615 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.619 HD13 HD13 ' A' ' 98' ' ' LEU . 45.7 pt -94.78 -16.22 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.913 -179.783 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.71 -59.75 2.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.6 p -119.69 2.57 11.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.783 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -82.69 1.68 37.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.108 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.31 147.4 24.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.644 ' NE2' ' HB ' ' A' ' 8' ' ' VAL . 11.1 pt20 -122.0 147.39 48.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.7 Cg_exo -67.78 4.92 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.932 2.421 . . . . 0.0 112.819 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.644 ' HB ' ' NE2' ' A' ' 6' ' ' GLN . 58.9 t -99.49 128.69 50.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.268 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.41 140.93 25.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -79.65 177.06 9.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.3 t -155.49 155.64 33.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 tp -89.32 117.94 28.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 14' ' ' ALA . 17.4 t -79.0 157.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -57.22 159.72 4.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.078 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.54 -30.86 61.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.212 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.97 0.11 55.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.381 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 24.0 mm-40 -119.24 -18.81 8.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.368 . . . . 0.0 111.077 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -67.12 -28.24 67.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.304 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -77.37 -21.72 52.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.939 0.4 . . . . 0.0 110.712 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -96.12 -15.46 22.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.069 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' O ' ' HB ' ' A' ' 24' ' ' THR . 14.0 t80 -65.79 -38.07 88.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 23' ' ' PRO . 2.5 mm? -60.4 -56.84 31.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 32.2 Cg_endo -64.81 -18.86 63.71 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.788 1.659 . . . . 0.0 111.014 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 3.2 m -64.64 -52.61 56.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.215 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -103.63 -68.52 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.278 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' LEU . 3.2 m-85 -46.44 -49.41 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.971 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.534 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 117.38 154.7 9.99 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.214 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.36 -8.43 12.61 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.339 2.026 . . . . 0.0 111.89 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HE ' ' HD2' ' A' ' 33' ' ' ARG . 7.9 tpt180 -100.11 -48.17 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 33' ' ' ARG . 23.0 mt -62.63 -35.55 79.96 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 2.0 ptm -38.85 -29.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 25.8 ptm -103.53 -41.55 5.94 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.212 -0.305 . . . . 0.0 111.725 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.58 ' HG2' ' HA ' ' A' ' 30' ' ' LEU . 17.4 ptm180 -81.86 -0.7 44.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.466 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -110.31 -49.76 0.7 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.032 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 31' ' ' MET . 4.1 mm-40 -63.2 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.32 61.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.892 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.804 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -79.09 -35.19 42.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.701 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG21 ' SD ' ' A' ' 66' ' ' MET . 2.5 m -72.49 -39.42 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.102 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -25.11 52.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.481 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.1 -38.89 87.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.049 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 98.6 m95 -81.66 -31.6 32.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.439 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HB2' ' HB1' ' A' ' 96' ' ' ALA . 13.0 tpt -68.74 -34.42 75.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -79.66 -16.64 55.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.695 0.283 . . . . 0.0 111.188 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 98.3 mtt180 -79.47 -54.38 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.594 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 78' ' ' VAL . 48.3 mt -45.24 -23.16 0.16 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.302 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.797 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.8 t -121.68 137.99 54.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.888 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -80.24 -26.6 38.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.2 0.524 . . . . 0.0 110.131 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 90.3 mtt180 -112.49 54.06 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.81 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.797 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.8 t80 -117.72 102.75 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.958 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.49 -29.28 18.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.321 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' O ' HD21 ' A' ' 70' ' ' LEU . . . 155.44 178.51 29.74 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.58 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 68' ' ' PRO . . . -170.71 172.47 5.76 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 14.4 m-85 -88.01 89.98 8.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.579 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HD1' ' HG3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -69.32 79.22 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.43 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 88.1 m-70 -49.6 130.19 20.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.899 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.704 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 19.7 m-85 -81.88 129.97 34.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.439 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 49.2 m-85 -117.83 140.2 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.881 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -106.6 103.89 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.891 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HB2' ' H ' ' A' ' 64' ' ' PHE . 11.0 mt -80.89 150.17 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.481 ' OG ' HG13 ' A' ' 8' ' ' VAL . 87.1 p -65.7 -26.46 67.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' OD2' HG11 ' A' ' 8' ' ' VAL . 75.0 m-20 -75.8 -23.79 55.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 8.6 51.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.225 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.35 -47.49 12.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.289 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.512 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 8.0 m-85 64.92 130.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.907 0.384 . . . . 0.0 111.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 124' ' ' LEU . 3.9 p90 -138.12 157.5 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.37 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.516 ' SD ' HG21 ' A' ' 38' ' ' VAL . 37.6 mtp -110.24 143.9 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.66 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.84 112.78 9.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.209 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.62 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 50.7 Cg_exo -53.82 165.78 1.7 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.648 2.232 . . . . 0.0 112.174 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 14.3 t70 -130.59 79.12 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.107 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 51' ' ' GLY . 77.9 mt -105.76 177.54 4.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.05 -174.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.03 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.83 135.42 13.22 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 113.011 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 48.43 100.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.97 0.414 . . . . 0.0 111.905 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -126.15 135.31 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.555 179.715 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 9.7 pt-20 -67.62 112.32 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 46' ' ' CYS . 1.9 mm -124.96 106.37 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.699 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG2' ' HG3' ' A' ' 84' ' ' ARG . 43.3 mt-10 -90.01 128.95 36.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.729 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.776 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -104.37 104.19 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.729 -179.348 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.476 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.5 m-80 -62.64 -32.61 73.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -42.44 -36.03 2.11 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 115.283 -0.871 . . . . 0.0 113.012 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.561 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 5.2 p30 -142.1 16.15 2.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.727 0.299 . . . . 0.0 110.871 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.51 30.89 56.7 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.16 -0.543 . . . . 0.0 114.243 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HB3' ' CG2' ' A' ' 78' ' ' VAL . 77.8 t80 -91.73 103.2 15.79 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.808 0.804 . . . . 0.0 111.394 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 77' ' ' GLU . 75.2 ttt180 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.049 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.58 142.92 6.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.322 -0.942 . . . . 0.0 113.116 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 37.9 mt-10 -78.34 126.02 30.18 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -132.75 165.86 23.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.844 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 t -78.8 148.41 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -22.85 18.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.062 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -79.4 -57.18 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -66.14 -13.57 60.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.42 -33.01 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.113 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.537 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.91 -18.5 57.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.031 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.2 mm -68.12 -40.26 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 109.79 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.755 HG13 HG22 ' A' ' 141' ' ' ILE . 48.6 t -80.04 -24.49 11.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.359 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -71.74 -48.72 45.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.483 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.4 t -74.45 -40.72 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.33 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 124' ' ' LEU . 13.9 mt -52.82 -48.97 66.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.298 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 10.8 m-85 -62.81 -35.4 79.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.071 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -57.51 -44.58 85.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.622 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 121' ' ' TYR . 78.0 mt -57.43 -40.01 77.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.44 -33.48 86.6 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.669 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -74.62 -47.24 33.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.735 0.302 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.804 ' HG ' HD22 ' A' ' 37' ' ' LEU . 38.3 mt -55.9 -40.13 72.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -67.83 -31.99 72.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.874 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.67 -21.95 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.386 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' OE2' HD23 ' A' ' 104' ' ' LEU . 41.1 mt-10 -69.21 -50.67 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.137 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.503 HD12 ' HB1' ' A' ' 113' ' ' ALA . 26.9 pt -74.83 159.35 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.67 137.58 19.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.455 ' HA ' ' HB3' ' A' ' 114' ' ' ALA . 5.0 p-10 -96.44 17.2 16.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.96 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -84.96 -53.66 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.262 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.69 -42.38 3.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.989 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HB1' HD12 ' A' ' 108' ' ' ILE . . . -93.25 -149.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . 65.07 -1.52 0.86 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.455 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 113' ' ' ALA . 31.3 t70 -127.5 -7.84 5.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.675 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.03 -54.11 4.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.771 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.97 -15.24 58.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.053 0.454 . . . . 0.0 110.342 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 117' ' ' LEU . 21.1 mm -67.84 -16.86 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.34 0.591 . . . . 0.0 110.226 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.05 -44.86 71.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -70.82 -30.69 67.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.214 -179.346 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.461 ' HA ' HD13 ' A' ' 101' ' ' LEU . 27.6 t80 -59.99 -46.22 90.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CD2' HG22 ' A' ' 118' ' ' ILE . 91.6 m-70 -59.53 -39.36 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 120' ' ' ARG . 23.5 m-85 -60.86 -53.57 55.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 65' ' ' TYR . 1.2 tt -56.64 -51.99 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.372 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -48.41 -28.86 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.758 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.09 -26.81 35.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.12 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.503 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.4 t80 -71.78 -32.85 68.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.942 0.371 . . . . 0.0 111.012 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 137' ' ' ILE . . . -66.24 -12.0 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.61 -25.38 38.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.32 -4.98 90.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.723 . . . . 0.0 111.89 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -81.76 143.06 49.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.608 0.242 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.85 -34.21 91.62 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.731 2.287 . . . . 0.0 112.474 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.2 pm0 -96.74 17.03 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.61 -38.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.52 -45.13 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 111.474 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.35 68.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.571 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.5 HG21 ' HB1' ' A' ' 128' ' ' ALA . 94.9 mt -64.49 -53.79 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -64.34 -35.88 82.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.551 0.215 . . . . 0.0 111.481 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -72.76 -30.28 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.537 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.53 -35.17 80.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.576 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.755 HG22 HG13 ' A' ' 95' ' ' VAL . 44.2 pt -92.86 -13.64 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.867 0.365 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -102.61 137.4 40.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 t -120.53 -1.33 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 160.9 31.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -149.82 167.83 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.043 0.449 . . . . 0.0 111.169 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.521 HE21 HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -146.28 99.04 4.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.466 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.14 4.58 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.0 2.467 . . . . 0.0 113.488 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.521 HG13 HE21 ' A' ' 6' ' ' GLN . 3.3 p -89.35 126.9 42.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.196 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.432 ' C ' HD23 ' A' ' 59' ' ' LEU . 68.1 p -146.92 139.38 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.088 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -88.42 -172.14 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 38.2 t -160.02 146.06 15.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.21 117.16 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.81 154.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.91 167.25 0.82 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 11.7 pt-20 -76.38 -28.3 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.293 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.13 -1.86 47.66 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 24.4 mm-40 -117.6 -19.0 9.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.64 0.257 . . . . 0.0 111.63 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.786 ' NH2' ' HA ' ' A' ' 55' ' ' HIS . 13.4 ptm180 -67.77 -26.76 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.382 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.4 pt? -85.43 -21.66 28.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 11.7 t70 -97.39 -14.52 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' HB3' ' HE2' ' A' ' 56' ' ' TYR . 4.8 t80 -72.86 -30.95 64.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.5 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.853 ' HB3' ' HB3' ' A' ' 31' ' ' MET . 0.9 OUTLIER -56.52 -57.36 23.9 Favored Pre-proline 0 N--CA 1.456 -0.157 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 27' ' ' GLY . 36.5 Cg_endo -67.88 -15.66 44.23 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.176 1.917 . . . . 0.0 111.406 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' A' ' 21' ' ' PHE . 4.6 m -67.71 -38.64 83.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.448 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -126.96 -69.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.225 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -41.15 -37.33 0.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.984 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' C ' ' HA ' ' A' ' 23' ' ' PRO . . . 112.53 149.33 10.78 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.423 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.63 -11.23 25.29 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.391 2.061 . . . . 0.0 112.016 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.89 -38.38 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.675 179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 1.1 tp -71.64 -32.61 68.12 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.853 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 1.8 ptm -34.7 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.6 ptp -108.52 -35.74 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 61.4 mtt180 -74.69 -3.73 33.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.065 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -119.41 -44.54 0.47 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.184 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.567 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 35.8 tt0 -60.45 -31.54 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.594 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -21.33 51.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.74 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -82.11 -36.73 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.573 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.33 -37.59 71.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -25.27 43.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . -61.66 -35.47 78.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.552 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.8 m95 -81.07 -31.74 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.0 tpt -67.29 -33.21 74.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.549 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -21.49 40.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.356 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 99.5 mtt180 -75.29 -56.72 4.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.835 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HA ' ' A' ' 78' ' ' VAL . 36.5 mt -47.11 -19.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.327 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 43.4 t -117.91 141.99 47.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.929 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.38 -29.15 26.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.228 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -112.58 54.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -116.87 97.33 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.919 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -86.08 -40.21 15.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.737 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.0 166.01 33.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.273 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 70' ' ' LEU . . . -152.1 152.53 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 0.0 111.219 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.25 91.07 3.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.944 0.402 . . . . 0.0 111.838 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -63.84 139.19 58.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.385 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.786 ' HA ' ' NH2' ' A' ' 18' ' ' ARG . 91.8 m-70 -118.96 120.97 38.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.635 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -74.8 127.19 32.58 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.958 0.409 . . . . 0.0 110.99 179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.525 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.9 m-85 -121.67 140.12 52.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.213 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.698 ' HA ' ' HD1' ' A' ' 64' ' ' PHE . . . -111.33 114.39 27.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 63' ' ' GLY . 13.9 mt -89.11 152.45 21.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 -23.43 54.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.364 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.71 -5.15 59.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.93 68.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.261 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.573 ' O ' HD12 ' A' ' 59' ' ' LEU . . . -93.58 34.3 4.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.405 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.698 ' HD1' ' HA ' ' A' ' 58' ' ' ALA . 18.8 m-85 -30.48 134.37 0.06 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.603 0.361 . . . . 0.0 111.38 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.632 ' HB2' HG21 ' A' ' 97' ' ' THR . 11.3 p90 -138.29 -178.13 5.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.425 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.567 ' HE1' ' HG3' ' A' ' 35' ' ' GLU . 56.1 mtp -136.84 148.76 47.31 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.748 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.66 133.88 11.32 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.545 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HG2' ' HB1' ' A' ' 89' ' ' ALA . 45.5 Cg_endo -67.81 169.22 16.62 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.684 2.256 . . . . 0.0 112.156 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.578 ' C ' HD22 ' A' ' 70' ' ' LEU . 24.2 t70 -114.68 92.12 3.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 3.0 mm? -133.94 112.0 10.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.07 109.37 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.423 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -157.76 23.55 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.834 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -110.95 116.88 31.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.012 0.434 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -114.71 124.69 52.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.127 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.94 106.29 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 0.0 110.675 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.609 HG23 ' HB3' ' A' ' 45' ' ' LEU . 1.5 mm -116.31 111.34 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 45' ' ' LEU . 11.3 pt-20 -90.21 124.3 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.623 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.753 ' HA ' HD22 ' A' ' 45' ' ' LEU . 4.8 t -103.54 102.77 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.419 -178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.84 -36.7 59.54 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.577 0.227 . . . . 0.0 111.203 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.38 -24.1 0.34 Allowed Glycine 0 C--N 1.333 0.387 0 C-N-CA 121.224 -0.512 . . . . 0.0 113.053 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.479 HD21 ' HA ' ' A' ' 140' ' ' ALA . 1.0 OUTLIER -144.4 8.68 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.622 179.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.24 12.34 57.87 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.878 -0.601 . . . . 0.0 113.218 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -81.47 95.86 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.983 0.391 . . . . 0.0 111.579 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.2 112.79 22.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.79 135.35 3.57 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 119.75 -1.214 . . . . 0.0 113.847 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -66.74 150.4 49.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.094 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 15.5 tp -163.16 144.99 9.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.919 0.39 . . . . 0.0 111.12 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -66.5 159.37 27.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.543 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HB1' ' HG2' ' A' ' 68' ' ' PRO . . . -66.99 -12.04 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.214 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' O ' HD11 ' A' ' 94' ' ' ILE . 12.9 t70 -89.22 -26.37 21.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.731 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 137' ' ' ILE . . . -105.51 -13.07 15.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.13 -38.9 9.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.654 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.622 ' HA3' ' HD2' ' A' ' 68' ' ' PRO . . . -56.91 -27.82 57.0 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.239 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.621 HG21 ' HB2' ' A' ' 128' ' ' ALA . 4.0 mm -62.51 -35.59 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 109.846 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 141' ' ' ILE . 47.6 t -81.58 -28.25 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.25 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.55 -47.29 70.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.414 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.632 HG21 ' HB2' ' A' ' 65' ' ' TYR . 3.1 t -72.53 -42.35 64.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.3 mt -53.44 -48.94 68.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.022 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.31 -30.71 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.052 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -68.33 -41.23 81.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.59 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.37 -39.29 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.935 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.92 -21.94 76.9 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.018 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.591 ' CD ' HD11 ' A' ' 37' ' ' LEU . 17.0 tt0 -83.91 -49.48 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.731 0.301 . . . . 0.0 111.149 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.42 -39.99 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -63.31 -32.7 74.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.69 -8.35 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.293 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.67 -52.0 8.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.6 pt -67.02 -32.49 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 54.39 86.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -146.22 -173.34 4.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -119.14 -6.83 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.46 -64.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.103 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.544 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -69.28 -34.34 74.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.516 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.74 -9.61 38.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.356 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.93 -7.14 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.789 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.5 -49.05 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.738 HD21 ' HB2' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -70.75 -17.1 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.308 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 8.5 mm -63.44 -34.56 68.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.243 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -43.24 63.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.839 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 117' ' ' LEU . 2.0 mpt_? -54.93 -37.04 65.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.017 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -67.12 -53.47 30.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -54.39 -36.66 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.424 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -75.04 -54.06 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.669 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.9 tp -54.73 -56.3 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.792 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -45.71 -39.36 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.087 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.86 -33.48 84.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.992 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.429 ' HA ' HG13 ' A' ' 8' ' ' VAL . 24.5 t80 -65.27 -35.86 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -73.66 -2.93 25.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.589 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.88 -23.74 48.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.18 4.07 67.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.759 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -81.92 150.61 65.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 -31.08 94.9 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.583 2.189 . . . . 0.0 112.155 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -100.82 17.85 21.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.06 2.83 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 138' ' ' TYR . . . -55.27 -44.85 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.587 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.42 69.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 0.0 111.745 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.532 HG21 ' HB1' ' A' ' 128' ' ' ALA . 97.6 mt -67.18 -52.15 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 135' ' ' ALA . 1.4 p90 -63.69 -36.06 82.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.519 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -72.99 -29.23 62.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 109.815 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -70.54 -33.43 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.708 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.573 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -94.82 -7.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -97.79 152.52 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.3 m -96.99 -18.91 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -112.51 138.44 49.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -143.04 158.2 43.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.469 HE22 ' HA ' ' A' ' 127' ' ' PHE . 13.4 pt20 -136.27 161.73 60.58 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 6' ' ' GLN . 86.2 Cg_exo -45.61 -74.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.753 2.302 . . . . 0.0 113.154 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 61' ' ' ASP . 8.3 t -66.81 121.25 15.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.314 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.532 ' HA ' ' HE1' ' A' ' 127' ' ' PHE . 74.3 p -138.44 138.78 38.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.822 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.544 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . . . -84.18 170.47 13.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.1 t -156.89 158.21 36.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.49 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 55' ' ' HIS . 1.5 mt -90.18 123.46 34.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.119 0.485 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.25 152.64 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.198 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 153.43 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.85 -31.35 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.277 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.31 -1.79 58.23 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -121.16 -15.27 8.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 111.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.511 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 14.2 ptm180 -69.86 -25.24 63.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.556 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 ' H ' HD23 ' A' ' 19' ' ' LEU . 2.5 pt? -71.35 -21.68 62.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.619 0.247 . . . . 0.0 111.367 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 23' ' ' PRO . 12.7 t70 -107.8 -11.23 15.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.485 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -72.64 -42.36 64.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.682 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -57.32 -52.46 74.04 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.729 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 22' ' ' LEU . 58.6 Cg_endo -71.9 -17.1 29.1 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.337 2.025 . . . . 0.0 112.482 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.483 HG22 ' HD1' ' A' ' 25' ' ' TYR . 3.0 m -82.61 -35.46 27.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.128 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HD1' HG22 ' A' ' 24' ' ' THR . 6.6 m-85 -101.66 -22.3 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -108.69 -41.17 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 0.0 110.577 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 23' ' ' PRO . . . 137.38 140.28 4.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 23' ' ' PRO . 20.3 Cg_endo -60.24 -17.29 45.51 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.465 2.11 . . . . 0.0 112.419 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -102.5 -36.39 8.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.129 179.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 30' ' ' LEU . 8.0 mp -70.46 -35.06 73.09 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.589 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppp? -34.49 -41.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.4 mtm -86.95 -47.02 9.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.883 0.373 . . . . 0.0 111.581 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' HD21 ' A' ' 104' ' ' LEU . 25.6 mmm180 -70.84 -5.7 32.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.344 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 104' ' ' LEU . . . -109.53 -46.79 0.89 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.552 ' O ' HG22 ' A' ' 38' ' ' VAL . 11.7 pt-20 -60.73 -35.97 77.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.003 0.43 . . . . 0.0 109.847 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.5 61.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.139 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD22 ' HG ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -79.86 -35.97 37.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.785 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 35' ' ' GLU . 3.5 m -67.77 -42.33 86.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -73.59 -23.38 59.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.457 179.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.27 94.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 99.4 m95 -80.27 -34.14 37.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.486 ' HE3' ' HA ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -64.45 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.94 -179.384 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -82.79 -12.26 57.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.692 0.282 . . . . 0.0 111.56 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -86.52 -52.84 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 ' HB3' HG23 ' A' ' 76' ' ' ILE . 15.4 mt -46.32 -24.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.564 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 41.2 t -127.94 130.07 47.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.788 0.328 . . . . 0.0 110.621 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.702 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -71.23 -26.08 62.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.702 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 46.4 mtp180 -109.78 49.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.338 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.3 t80 -115.28 95.88 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.975 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -77.44 -46.8 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 158.68 -171.01 35.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.75 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -177.67 179.56 0.9 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.013 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -87.4 95.58 10.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.038 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.28 78.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.343 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB3' HD21 ' A' ' 12' ' ' LEU . 85.9 m-70 -50.93 133.41 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.132 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.511 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 14.9 m-30 -83.5 124.88 31.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.944 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 47.5 m-85 -115.2 142.12 47.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.685 -179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.14 104.24 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.651 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.544 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 12.3 mt -74.96 145.84 42.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.9 t -64.76 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.165 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' HB2' HG22 ' A' ' 8' ' ' VAL . 8.7 m-20 -150.62 10.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.678 ' HA2' ' HB3' ' A' ' 123' ' ' PHE . . . -106.64 11.55 42.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.159 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' PHE . . . 79.44 -81.92 1.42 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.632 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 13.0 p90 177.97 142.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.62 ' HB2' HD11 ' A' ' 124' ' ' LEU . 1.4 p90 -135.94 150.44 49.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.571 ' SD ' HD21 ' A' ' 22' ' ' LEU . 22.6 mtm -112.94 144.87 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.963 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.06 136.51 15.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' HD2' ' HA3' ' A' ' 93' ' ' GLY . 32.8 Cg_endo -64.12 162.84 28.03 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.627 2.218 . . . . 0.0 112.289 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.401 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 20.0 t70 -111.11 85.94 2.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.184 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 25.7 mt -144.02 156.01 44.23 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.098 0.475 . . . . 0.0 110.802 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.04 164.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.669 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.18 173.47 44.57 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.869 -1.158 . . . . 0.0 112.782 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 73' ' ' ARG . 7.5 mpt_? 59.22 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.089 0.471 . . . . 0.0 110.581 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 73' ' ' ARG . 70.9 mt -133.16 130.53 39.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.587 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 31.7 mt-10 -56.56 108.88 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 46' ' ' CYS . 2.5 mm -128.57 106.25 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.325 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 10.7 pt-20 -84.79 103.79 14.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.319 0.58 . . . . 0.0 109.866 178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 140' ' ' ALA . 16.8 t -81.16 92.91 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.18 -34.39 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -41.74 -26.7 0.29 Allowed Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.112 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 83' ' ' PHE . 6.8 p30 -151.99 13.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.696 0.284 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.61 17.89 69.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.885 -0.674 . . . . 0.0 113.385 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.564 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 33.4 t80 -80.07 90.29 5.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 117.056 0.428 . . . . 0.0 111.397 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -78.85 106.4 10.84 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.84 144.31 10.59 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.531 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 42.8 mt-10 -81.36 109.08 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' HG ' ' HB3' ' A' ' 91' ' ' ALA . 13.6 tp -117.02 155.66 28.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.19 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -76.87 156.76 31.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.88 -24.31 57.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.08 -57.22 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' HB3' ' HG ' ' A' ' 87' ' ' LEU . . . -70.19 -12.72 61.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.33 -38.14 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 97' ' ' THR . . . -58.95 -19.21 43.6 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.345 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.564 HG21 ' HB2' ' A' ' 128' ' ' ALA . 2.6 mm -70.58 -43.66 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.173 0.511 . . . . 0.0 110.011 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.551 HG13 HG22 ' A' ' 141' ' ' ILE . 43.2 t -74.66 -21.27 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -76.25 -48.92 18.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.349 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.2 t -71.25 -40.33 71.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 124' ' ' LEU . 24.2 mt -58.54 -50.41 73.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.357 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' HE1' ' HA ' ' A' ' 141' ' ' ILE . 2.8 m-85 -58.06 -35.34 71.2 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.743 0.306 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -66.68 -39.65 88.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 97' ' ' THR . 88.7 mt -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.54 -32.77 82.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.195 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.41 HE21 HD21 ' A' ' 37' ' ' LEU . 20.0 tt0 -76.3 -47.94 21.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.795 0.297 . . . . 0.0 111.164 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.819 ' HG ' HD22 ' A' ' 37' ' ' LEU . 93.5 mt -61.0 -45.88 93.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 117' ' ' LEU . . . -57.98 -35.06 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.41 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -95.28 -9.12 34.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.743 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -78.79 -36.94 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 108' ' ' ILE . 23.2 pt -77.59 111.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.5 91.13 0.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.461 ' OD2' ' HB ' ' A' ' 108' ' ' ILE . 3.1 p30 -175.46 -171.14 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.716 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.8 t -141.1 10.81 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.246 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -103.88 -55.69 2.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.12 -1.51 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -86.04 -7.62 58.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.12 -11.05 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.5 -48.36 17.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -75.22 -17.41 60.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.893 0.378 . . . . 0.0 110.508 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.746 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.3 mm -55.63 -29.04 24.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.197 0.522 . . . . 0.0 110.207 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -46.57 79.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.174 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 117' ' ' LEU . 6.3 mmt180 -51.8 -39.18 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.085 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.429 ' HD2' ' HB2' ' A' ' 101' ' ' LEU . 16.5 t80 -71.66 -54.53 10.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.067 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -53.06 -29.66 31.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.678 ' HB3' ' HA2' ' A' ' 62' ' ' GLY . 24.2 m-85 -89.05 -51.71 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.674 0.273 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.62 HD11 ' HB2' ' A' ' 65' ' ' TYR . 4.9 tt -50.07 -57.98 6.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -47.47 -38.03 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.724 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -68.0 -34.0 80.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.7 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.532 ' HE1' ' HA ' ' A' ' 9' ' ' THR . 81.0 t80 -64.63 -38.41 90.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 94' ' ' ILE . . . -65.16 -11.46 40.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.599 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.56 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -90.21 2.01 80.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.407 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 128' ' ' ALA . 3.0 m-70 -75.09 149.5 85.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.626 0.251 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.13 -10.21 26.38 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.736 2.291 . . . . 0.0 112.442 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -129.77 20.1 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.343 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -41.78 -38.64 1.53 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.563 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' HA ' ' CE1' ' A' ' 138' ' ' TYR . . . -49.48 -43.91 45.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.404 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -76.35 -39.85 52.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.836 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.547 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.6 mt -62.71 -55.8 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 135' ' ' ALA . 1.7 p90 -63.43 -34.36 77.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.565 0.222 . . . . 0.0 111.515 -178.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 136' ' ' ALA . 12.7 ptm180 -74.72 -28.55 60.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.505 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.94 -35.29 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.592 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.551 HG22 HG13 ' A' ' 95' ' ' VAL . 2.7 pp -91.06 -10.4 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.0 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.997 179.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.9 114.97 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -141.1 17.65 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -126.53 -156.26 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.969 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 68.85 144.9 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -125.97 133.09 24.59 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.146 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -68.41 -18.1 43.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.506 2.137 . . . . 0.0 112.086 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 ' OG ' ' A' ' 60' ' ' SER . 50.2 t -107.14 136.27 42.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.69 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.1 p -146.53 140.84 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.111 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -88.07 179.68 6.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.747 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 57' ' ' TYR . 47.2 t -151.89 152.19 32.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 13' ' ' VAL . 2.8 tm? -86.33 133.76 33.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.989 0.423 . . . . 0.0 110.728 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' N ' HD13 ' A' ' 12' ' ' LEU . 60.9 t -101.89 144.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.344 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 17' ' ' GLN . . . -48.01 148.25 1.78 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.145 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 11.4 pt-20 -70.53 -22.37 62.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.407 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.73 2.32 38.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.72 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 18.2 mm-40 -119.14 -20.61 7.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.091 0.472 . . . . 0.0 110.499 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.682 ' HB2' ' HD2' ' A' ' 56' ' ' TYR . 28.1 ptt180 -72.66 -17.47 61.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.161 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 20' ' ' ASP . 2.4 pp -65.47 -22.6 66.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.508 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.619 ' N ' HD12 ' A' ' 19' ' ' LEU . 18.9 t70 -120.13 -18.4 8.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -64.75 -38.42 90.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.679 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -64.78 -53.46 43.18 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.064 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HB2' ' HA ' ' A' ' 28' ' ' PRO . 58.5 Cg_endo -71.18 -14.96 31.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.388 2.059 . . . . 0.0 112.442 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -80.39 -32.3 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.701 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -107.42 -27.25 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.617 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.4 t80 -97.57 -42.68 7.56 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.581 ' HA3' HD23 ' A' ' 30' ' ' LEU . . . 140.33 136.73 3.37 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.495 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' PRO . 15.6 Cg_endo -57.23 -19.12 32.89 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.527 2.151 . . . . 0.0 111.984 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NE ' ' HG3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -97.95 -39.86 8.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 179.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD23 ' HA3' ' A' ' 27' ' ' GLY . 1.5 mm? -69.36 -35.57 75.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.62 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -30.86 -39.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 26.8 ptm -101.73 -36.72 8.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.853 0.359 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 30.1 mmm180 -71.8 -12.29 61.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.315 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -104.15 -44.97 1.53 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.081 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' A' ' 32' ' ' MET . 10.7 pt-20 -60.01 -36.09 76.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.889 0.376 . . . . 0.0 110.074 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.56 -19.15 60.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.883 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 2.2 mt -84.41 -41.07 17.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.806 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 35' ' ' GLU . 4.4 m -61.81 -36.62 74.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.406 . . . . 0.0 110.369 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -81.89 -22.99 36.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.256 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.03 93.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.835 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 92.0 m95 -78.72 -32.91 47.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.756 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 96' ' ' ALA . 9.9 tpt -63.62 -43.84 95.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 49' ' ' TYR . 15.5 ptm180 -68.74 -18.44 64.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 39.5 mtp180 -81.6 -19.81 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 110.666 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' ' 76' ' ' ILE . 65.9 mt -80.91 -25.96 37.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.377 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.946 ' HB3' ' HB2' ' A' ' 49' ' ' TYR . 52.8 t -123.28 152.59 41.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.297 . . . . 0.0 110.3 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -89.48 -18.95 25.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.544 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -117.92 12.64 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 111.503 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.946 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 1.1 t80 -67.47 93.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.978 0.418 . . . . 0.0 111.621 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.481 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -72.96 -25.12 60.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.599 179.077 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.79 130.98 6.25 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.76 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.37 -164.46 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -93.07 102.59 14.92 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.619 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -80.76 79.3 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 69' ' ' ASP . 56.9 m-70 -50.35 134.6 23.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.322 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' HD2' ' HB2' ' A' ' 18' ' ' ARG . 17.9 m-30 -78.16 133.0 37.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.236 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 43.2 m-85 -121.36 145.66 47.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.9 95.36 5.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.678 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 10' ' ' ALA . 10.8 mt -70.17 151.34 45.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.142 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.483 ' OG ' HG13 ' A' ' 8' ' ' VAL . 79.2 p -67.51 -29.16 68.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.208 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . 81.8 m-20 -72.31 -19.93 61.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.0 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.01 20.64 30.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.505 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.18 -42.11 5.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.38 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.464 ' H ' ' HB2' ' A' ' 59' ' ' LEU . 4.7 m-85 64.74 126.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.554 ' HB2' HG21 ' A' ' 97' ' ' THR . 3.9 p90 -136.42 161.32 36.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.239 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.486 ' HE3' ' HE1' ' A' ' 56' ' ' TYR . 66.6 mtp -114.22 134.09 55.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -127.16 130.65 23.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.25 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 27.9 Cg_endo -62.86 155.75 58.1 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.455 2.103 . . . . 0.0 111.712 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' HB2' ' NE2' ' A' ' 55' ' ' HIS . 20.6 t70 -101.77 87.71 3.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.179 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.661 ' HB2' HD11 ' A' ' 74' ' ' LEU . 93.3 mt -143.55 118.95 10.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.998 0.428 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.95 113.76 27.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.11 -159.38 27.03 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.623 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -100.27 104.1 15.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.998 0.428 . . . . 0.0 110.538 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 70' ' ' LEU . 52.8 mt -91.99 98.96 11.89 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.752 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 86' ' ' GLU . 41.0 tt0 -65.98 93.52 0.2 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 46' ' ' CYS . 0.9 OUTLIER -97.48 154.28 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.115 -179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 84' ' ' ARG . 8.5 pt-20 -130.17 91.39 3.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.75 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.0 t -70.98 98.67 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.963 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.464 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 2.0 m-80 -69.77 -37.13 76.29 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.627 0.251 . . . . 0.0 111.161 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -43.98 -24.52 0.53 Allowed Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.725 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.53 ' OD1' ' HB3' ' A' ' 83' ' ' PHE . 29.1 p30 -142.75 5.8 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.992 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.29 18.79 65.64 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.731 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.53 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 13.6 t80 -86.78 100.08 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 111.511 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 78.9 ttt180 -82.87 106.09 14.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.12 137.65 8.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.622 -1.275 . . . . 0.0 114.199 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 75' ' ' GLU . 33.9 mt-10 -89.72 118.85 29.63 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 tp -138.7 167.53 21.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.95 0.405 . . . . 0.0 111.453 -178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -75.55 -168.89 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.151 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -90.78 -21.46 21.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 0.0 110.995 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 -57.95 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.054 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.48 51.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.596 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.37 -33.66 10.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.416 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 97' ' ' THR . . . -61.77 -22.75 62.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.385 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 4.5 mm -64.91 -40.99 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.113 0.482 . . . . 0.0 110.517 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.683 HG13 HG22 ' A' ' 141' ' ' ILE . 44.3 t -77.39 -28.49 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.787 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.561 ' HB2' ' SD ' ' A' ' 42' ' ' MET . . . -69.04 -48.81 61.94 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.9 t -77.21 -40.2 45.93 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.2 tp -50.5 -55.68 14.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.696 0.284 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG22 ' A' ' 141' ' ' ILE . 22.7 m-85 -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.651 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -65.05 -42.98 93.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.34 . . . . 0.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 76.4 mt -59.57 -41.91 91.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.306 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.81 -26.36 71.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.857 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.17 -45.29 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.67 0.271 . . . . 0.0 111.041 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 37' ' ' LEU . 34.8 mt -59.14 -45.98 89.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.255 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -57.28 -35.08 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.441 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.51 -6.17 37.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.684 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.63 -34.38 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.347 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 114' ' ' ALA . 43.7 pt -66.52 -12.31 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.413 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 69.47 -71.1 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.672 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -43.97 137.23 3.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.896 0.379 . . . . 0.0 111.304 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.2 p -90.27 9.79 27.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.313 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -71.23 -58.19 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 117' ' ' LEU . . . -104.05 8.17 36.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.223 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 108' ' ' ILE . . . -69.78 -4.7 21.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -121.26 -5.54 9.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.228 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.53 -54.69 4.4 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.606 0.241 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.19 -16.47 60.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 0.0 110.026 179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.655 ' N ' HD13 ' A' ' 117' ' ' LEU . 9.8 mm -63.07 -29.76 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.32 -45.42 54.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.884 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 120' ' ' ARG . 8.3 mpt_? -57.72 -39.49 77.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 22.3 t80 -57.68 -50.41 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.589 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -63.22 -31.42 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.656 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 61' ' ' ASP . 19.9 m-85 -66.01 -56.85 9.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.714 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.489 HD13 ' HB3' ' A' ' 65' ' ' TYR . 34.5 tp -61.54 -41.6 97.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.555 HH11 HD21 ' A' ' 98' ' ' LEU . 15.8 tpt180 -42.08 -34.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.319 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 129' ' ' ALA . . . -52.49 -43.14 58.35 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.393 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -57.84 -40.81 80.95 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.613 ' HA ' ' CD2' ' A' ' 131' ' ' HIS . . . -83.77 21.62 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.843 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 126' ' ' GLY . . . -120.87 11.89 11.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.42 14.28 0.12 Allowed Glycine 0 CA--C 1.516 0.114 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.587 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.613 ' CD2' ' HA ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -61.8 140.05 95.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.75 -15.94 21.16 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.548 2.165 . . . . 0.0 110.156 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -111.53 17.57 19.91 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.326 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.556 ' HB2' ' ND1' ' A' ' 131' ' ' HIS . . . -32.56 -47.24 0.15 Allowed 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.441 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 139' ' ' ARG . . . -45.12 -51.1 10.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.938 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.757 ' HA ' ' HE ' ' A' ' 139' ' ' ARG . . . -73.07 -41.16 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.93 -50.19 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 134' ' ' ALA . 1.9 p90 -64.83 -41.14 95.99 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.757 ' HE ' ' HA ' ' A' ' 136' ' ' ALA . 29.1 ptt180 -71.48 -25.83 62.44 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.832 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -77.21 -35.7 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.944 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.683 HG22 HG13 ' A' ' 95' ' ' VAL . 2.8 pp -85.98 -17.75 9.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.365 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 stop_ save_