data_2co8_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 2co8 _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 ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.472 ' CA ' HD13 ' A' ' 25' ' ' LEU . 1.3 mt -133.29 135.62 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 40.6 t -41.01 162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -100.92 -36.68 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 42' ' ' CYS . 2.2 mp -56.18 -59.9 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 p -98.96 -52.83 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.26 37.14 2.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -104.14 177.8 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.45 146.2 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD23 ' CD2' ' A' ' 39' ' ' HIS . 22.5 mt -116.12 146.37 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.99 172.24 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -77.34 -20.45 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 mt -118.51 13.18 13.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -124.7 -22.97 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 -74.52 143.98 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.22 104.77 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.9 p -69.2 96.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 96.2 t -123.42 101.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.6 30.51 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.51 -31.21 7.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -83.61 147.37 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.415 ' CB ' HD12 ' A' ' 25' ' ' LEU . 68.2 m-85 -107.07 144.69 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -139.62 154.06 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 37.6 m80 -75.82 140.65 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -50.71 -28.73 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 39.6 m -84.91 -53.04 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.3 m -50.93 -56.77 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.97 101.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.8 mtt180 -148.97 173.18 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 20.1 t -63.06 166.76 5.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.4 t60 -101.89 -7.15 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.558 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.9 m -118.98 -30.56 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.42 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 30.6 p -123.22 0.16 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 14.8 pt-20 40.32 44.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.28 130.94 41.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -41.22 103.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.35 95.06 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -66.97 154.22 92.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 79.62 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.46 -7.37 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.71 43.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CA ' HD21 ' A' ' 69' ' ' LEU . 10.9 p90 -157.58 166.62 32.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.85 148.1 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.573 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.9 tt0 -103.57 96.73 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.511 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 33.4 t-80 -48.14 133.89 12.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.21 -89.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -61.14 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 49.3 m-70 -114.24 -174.32 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 98.0 m-85 -116.26 122.05 43.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.6 m-85 -131.22 158.14 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.9 p -69.45 170.65 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' CA ' ' A' ' 57' ' ' TYR . 10.7 mt -78.93 13.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.55 -14.39 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 47' ' ' THR . 40.4 m170 -121.82 -17.54 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.19 117.06 8.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.73 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.2 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.1 mt -132.26 136.91 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.2 t -35.69 150.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -96.75 -26.12 15.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.9 mm? -71.68 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -92.28 -50.63 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.6 36.27 2.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -109.28 176.74 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.92 149.35 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 72.0 mt -113.68 147.85 37.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -109.97 155.66 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.2 m -47.46 -23.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.0 mt -108.67 -42.97 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.05 48.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' NH1' ' SG ' ' A' ' 32' ' ' CYS . 25.9 ptt85 -146.31 133.2 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD11 ' CD ' ' A' ' 40' ' ' ARG . 8.6 mp -115.79 104.86 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' SG ' ' NH1' ' A' ' 30' ' ' ARG . 1.9 m -67.4 98.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.427 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 93.5 t -123.67 99.76 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 54.81 38.75 30.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.67 -38.12 3.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -76.87 138.29 39.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 71.1 m-85 -110.61 146.53 35.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -141.76 164.24 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -76.51 148.49 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' CD ' HD11 ' A' ' 31' ' ' LEU . 24.5 mmm-85 -65.37 -12.78 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.509 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.7 m -99.54 -50.13 4.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.4 m -58.92 -50.63 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -50.99 103.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 41' ' ' SER . 91.3 mtt-85 -150.76 171.06 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.5 t -56.03 162.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 31.5 t60 -99.03 -0.57 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.577 ' CG2' ' CE1' ' A' ' 71' ' ' HIS . 9.2 m -122.27 -42.64 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.99 -4.6 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 44.9 mt-10 48.63 53.0 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.78 136.36 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 m -45.11 104.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.88 94.83 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.59 154.69 92.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 79.66 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.19 -15.91 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.06 44.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.429 ' N ' HD23 ' A' ' 69' ' ' LEU . 9.0 p90 -158.25 164.6 36.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -151.5 148.96 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 33.8 tt0 -104.97 102.78 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 44.9 t-80 -54.65 132.82 64.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.79 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.7 -91.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.15 -58.38 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.98 44.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 75.6 m-70 -125.93 -178.99 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 96.4 m-85 -113.36 122.99 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 30.0 m-85 -130.92 161.93 30.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.45 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 57' ' ' TYR . 11.1 mt -77.86 12.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -124.66 -10.07 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CE1' ' CG2' ' A' ' 47' ' ' THR . 30.4 m170 -126.2 -17.38 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 tp -54.03 118.43 15.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.74 -178.16 2.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.418 ' C ' HD13 ' A' ' 25' ' ' LEU . 1.7 t70 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.9 mt -129.91 130.6 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' LEU . 37.6 t -33.19 147.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -91.86 -21.73 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.94 -66.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -79.74 -49.68 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.8 37.02 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -111.42 -178.89 3.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.99 153.44 33.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 17' ' ' LEU . 34.9 mt -123.49 158.89 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -113.55 153.3 29.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.81 -34.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -95.19 -59.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ARG . 48.8 mt-10 -45.03 -58.42 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' GLU . 28.2 ptt180 -36.92 131.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' PHE . 2.3 tp -104.63 101.37 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.7 p -67.7 103.7 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 73.7 t -132.87 105.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 61.31 29.25 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.1 -34.43 5.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 m-70 -77.08 158.94 30.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 98.5 m-85 -120.95 140.33 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -145.66 161.52 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' SER . 29.9 m170 -76.77 122.72 25.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -39.13 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 4.5 t -86.13 -52.58 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 m -52.68 -56.52 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.05 101.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 41' ' ' SER . 74.6 mtt180 -141.54 -179.63 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 16.8 t -62.74 167.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.5 t60 -103.47 -7.89 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.3 m -117.88 -28.61 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.0 p -126.35 -0.17 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 48' ' ' CYS . 11.1 pt-20 41.92 45.34 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.69 130.05 42.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 m -39.97 98.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.94 97.08 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 8.7 m95 -62.45 155.36 68.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.708 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 8.51 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.93 26.52 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.19 48.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 53' ' ' TRP . 3.3 p90 -158.03 170.15 22.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -154.58 141.3 19.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 23.7 tt0 -98.39 110.8 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 34.0 t-80 -65.82 126.17 91.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.31 24.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.8 -76.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -79.4 -58.62 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.42 38.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 25.7 m-70 -122.19 -173.88 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 84.0 m-85 -119.38 124.81 47.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 12.1 m-85 -130.93 159.72 36.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.4 171.48 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 57' ' ' TYR . 19.4 mt -80.82 15.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -127.18 -9.69 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CE1' HG22 ' A' ' 47' ' ' THR . 37.5 m170 -125.37 -19.76 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 tp -48.95 118.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.56 3.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' C ' HD11 ' A' ' 25' ' ' LEU . 6.7 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' CYS . 2.0 mt -126.42 134.32 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LEU . 54.1 t -37.3 154.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.27 -29.1 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . 3.9 mm? -65.67 -54.43 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.22 -50.43 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 106.35 42.1 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -116.59 -177.35 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -61.62 157.48 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 69.2 mt -124.96 144.25 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -118.32 171.36 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.8 -61.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.42 5.51 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -130.1 55.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -162.9 133.09 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.1 mp -114.17 105.48 13.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.75 91.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 49.0 t -121.17 120.32 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.1 36.57 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.86 5.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -80.76 146.22 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 79.7 m-85 -113.34 145.51 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -146.67 160.75 41.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -72.71 150.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -64.49 -15.89 61.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 m -98.93 -49.93 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 81.4 m -55.12 -48.41 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 48.7 t80 -56.38 102.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 60.4 mtt180 -147.12 171.81 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.8 t -51.82 164.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.1 t60 -102.61 -0.94 31.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.566 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.2 m -121.74 -32.55 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.98 -7.95 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 9.1 mp0 52.63 50.59 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.11 137.64 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -47.45 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 89.9 mt -69.33 89.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -58.76 154.0 38.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 82.25 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -1.23 2.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.08 44.33 1.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -158.08 173.66 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -157.76 150.72 23.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.4 tt0 -106.8 104.16 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.2 t-80 -58.91 127.42 83.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.42 18.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.91 -78.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.76 -53.24 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.21 39.57 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 8.7 m-70 -126.42 -174.87 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 73.8 m-85 -116.93 126.42 52.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.7 m-85 -132.62 164.79 25.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.8 p -76.72 170.16 16.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.13 12.08 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -122.43 -10.5 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 47' ' ' THR . 29.7 m170 -125.23 -19.24 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.6 117.65 9.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.55 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 52.9 Cg_endo -69.81 -180.0 3.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -134.45 135.64 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 29.2 t -38.67 156.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.556 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -88.42 -39.37 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.4 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -106.65 -50.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.13 50.05 3.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -88.49 -70.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -169.68 128.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 39' ' ' HIS . 20.3 mt -103.49 158.77 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -130.18 168.49 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.32 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.41 8.45 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -123.21 -44.36 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -46.69 144.57 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.92 98.02 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.56 116.16 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.38 96.72 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m120 67.31 33.25 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.79 -37.84 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.58 174.49 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 93.9 m-85 -130.1 148.1 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' ' CB ' ' A' ' 19' ' ' ALA . 4.4 m-85 -145.74 165.47 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 27.9 m170 -80.12 121.94 26.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' HIS . 11.2 mmm-85 -38.18 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.4 m -88.6 -56.54 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.0 m -47.14 -47.92 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.27 102.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -147.43 175.51 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.95 165.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.601 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 29.5 t60 -103.4 -0.17 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.543 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.9 m -120.72 -35.2 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.8 p -120.83 -4.51 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 50.45 49.83 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 137.88 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -46.16 100.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.1 mt -72.8 97.31 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.456 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.4 m95 -66.95 155.28 90.47 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.72 30.93 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.76 44.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.417 ' CA ' HD21 ' A' ' 69' ' ' LEU . 3.3 p90 -158.38 167.12 30.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -154.22 150.52 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 37.6 tt0 -101.64 107.25 18.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 15.0 t-80 -64.48 124.34 85.61 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.95 11.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -38.14 -67.47 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -91.53 -45.35 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.32 1.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 91.0 m-70 -123.39 -175.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 63.2 m-85 -114.76 125.33 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 35.8 m-85 -135.18 160.34 38.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.93 172.42 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD21 ' CA ' ' A' ' 57' ' ' TYR . 24.4 mt -80.21 13.92 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.01 -10.39 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.543 ' CE1' HG21 ' A' ' 47' ' ' THR . 34.9 m170 -124.85 -19.65 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.03 115.4 4.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.9 Cg_endo -69.79 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' HD13 ' A' ' 25' ' ' LEU . 1.1 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.01 136.24 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.8 t -43.17 152.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.51 -26.97 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.25 -53.94 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.55 -52.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.64 33.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.13 173.38 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.51 144.61 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 39' ' ' HIS . 18.2 mt -110.35 157.74 19.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 77.1 t80 -125.94 167.92 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 38.7 t -43.12 -61.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.71 -29.55 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -88.98 57.05 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -162.84 125.6 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD11 ' CD ' ' A' ' 40' ' ' ARG . 5.0 mp -108.03 97.88 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.26 95.4 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.486 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 48.4 t -126.09 124.73 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 49.39 30.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.82 -28.37 7.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -86.62 140.25 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.455 ' CB ' HD12 ' A' ' 25' ' ' LEU . 13.3 m-85 -103.07 147.48 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 5.0 m-85 -146.94 156.76 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CD2' HD21 ' A' ' 25' ' ' LEU . 38.6 m80 -71.96 154.14 41.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.455 ' CD ' HD11 ' A' ' 31' ' ' LEU . 17.9 mmt180 -69.15 -21.41 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.503 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.0 p -93.8 -40.5 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 73.7 m -63.83 -53.28 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.8 96.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' NE ' ' O ' ' A' ' 41' ' ' SER . 84.8 mtt180 -139.51 172.75 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.4 t -54.99 165.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 25.0 t60 -103.52 -3.76 24.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.0 m -119.46 -32.51 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.17 -6.73 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 5.5 mp0 50.5 51.2 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.33 134.24 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -41.58 102.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.47 98.39 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.406 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.3 m95 -68.14 155.84 91.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 7.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -142.63 38.03 1.48 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.07 49.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.11 162.75 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.377 . . . . 0.0 110.926 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -153.38 145.62 23.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 13.7 tt0 -102.11 107.98 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 17.1 t-80 -59.91 130.88 88.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -19.93 35.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.16 -98.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -42.36 79.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.48 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 87.5 m-70 -126.76 -179.7 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 59' ' ' GLN . 88.8 m-85 -110.52 122.88 48.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.6 m-85 -127.39 163.82 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -74.83 172.7 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.4 mt -82.06 16.34 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -127.25 -10.0 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 47' ' ' THR . 28.5 m170 -124.04 -21.3 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.16 115.25 4.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.78 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.4 mt -133.29 134.17 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.8 t -34.35 147.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -90.92 -24.56 20.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 42' ' ' CYS . 2.8 mp -73.7 -69.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -80.43 -51.37 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.19 42.96 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.29 175.4 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.22 160.42 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 17' ' ' LEU . 50.3 mt -129.29 141.87 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -91.81 171.9 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.92 -1.26 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -123.95 -37.78 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 31.9 mt-10 -71.93 -52.11 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' GLU . 25.2 ptt180 -37.16 134.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 95.4 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.63 92.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.22 115.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.82 25.61 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.3 -29.35 8.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.2 m-70 -81.64 153.73 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -116.48 132.18 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 2.4 m-85 -132.14 162.68 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -79.1 142.45 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -61.7 -10.05 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -104.07 -36.45 7.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.3 m -68.6 -55.02 12.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.94 95.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 97.8 mtt180 -138.32 173.66 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.83 165.83 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.3 t60 -103.3 -4.42 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.571 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.7 m -119.99 -28.77 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.4 p -127.01 -2.39 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 10.4 pt-20 44.92 51.06 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.05 130.6 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 m -38.96 101.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.75 106.79 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -79.7 155.48 75.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 6.96 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -137.91 29.79 2.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.2 49.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -158.24 166.15 33.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -161.15 154.43 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 53.1 tt0 -100.11 124.17 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 19.1 t-80 -77.43 125.37 86.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.52 36.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.82 -82.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.52 -42.43 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 73.0 m-70 -118.9 -177.47 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 80.9 m-85 -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 13.0 m-85 -129.11 159.31 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.71 169.97 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.06 15.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.2 -11.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.571 ' CE1' HG21 ' A' ' 47' ' ' THR . 28.0 m170 -122.41 -21.52 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.63 112.09 1.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.2 Cg_endo -69.81 175.63 7.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.6 mt -127.12 134.13 50.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 25.6 t -39.5 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -94.9 -38.41 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.71 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -79.11 -51.94 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 105.56 36.47 2.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -108.14 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -57.55 153.09 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 39' ' ' HIS . 14.8 mt -117.63 175.74 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -133.89 179.45 6.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -76.31 -54.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.92 26.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -133.99 -51.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -45.75 144.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.3 97.77 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.77 89.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.62 130.97 56.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 48.37 44.1 19.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.31 21.9 62.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -129.0 159.72 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -117.71 129.38 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 27.0 m-85 -130.77 161.14 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CD2' HD22 ' A' ' 25' ' ' LEU . 32.8 m80 -81.78 131.56 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -50.33 -17.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -93.86 -45.91 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ARG . 4.2 m -59.72 -55.32 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.43 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 82.4 mtt180 -136.75 169.78 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.19 166.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 23.5 t60 -103.03 -5.49 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.2 m -120.23 -28.78 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 29.4 p -125.07 -1.54 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 11.8 pt-20 43.57 45.23 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 131.91 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.6 m -40.93 102.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.38 100.92 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.405 ' C ' ' H ' ' A' ' 55' ' ' GLY . 3.4 m95 -70.45 155.39 93.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.516 0.674 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 7.47 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -142.87 34.4 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.74 49.07 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.427 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CA ' HD22 ' A' ' 69' ' ' LEU . 5.6 p90 -158.36 164.19 36.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -155.5 146.17 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 43.8 tt0 -99.49 113.15 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -68.81 124.8 91.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -42.48 3.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.89 -60.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.33 -54.83 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 30.6 m-70 -116.86 178.23 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 74.4 m-85 -114.12 121.68 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.3 m-85 -129.21 161.54 29.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.0 p -72.05 169.15 16.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD22 ' CA ' ' A' ' 57' ' ' TYR . 15.8 mt -78.01 15.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 68' ' ' CYS . 7.4 tp-100 -124.12 -18.33 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' HG22 ' A' ' 47' ' ' THR . 38.3 m170 -118.12 -18.79 9.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -50.89 114.56 4.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -173.67 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' CYS . 6.8 mt -132.8 134.25 44.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 42.0 t -36.42 144.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -23.23 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.15 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.9 p -93.58 -52.67 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 96.94 38.25 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.86 -75.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 25' ' ' LEU . 6.8 t60 -163.03 -179.36 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 32.4 mt -148.11 162.6 39.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -118.6 -176.18 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.48 -44.93 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.17 25.33 8.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HD2' ' CE1' ' A' ' 37' ' ' PHE . 38.7 ptt180 -58.17 135.6 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' CD1' ' CG ' ' A' ' 40' ' ' ARG . 10.1 mp -101.05 99.06 9.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 p -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.527 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 90.6 t -126.74 106.54 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 61.72 29.98 18.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 -28.06 10.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.4 148.67 25.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 95.1 m-85 -112.97 145.59 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -145.81 163.2 35.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 21.4 m170 -79.12 143.55 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 75.0 mtt180 -62.88 -16.39 58.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.3 t -93.46 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.02 -50.9 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.91 99.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.9 mtt180 -139.79 176.46 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.83 164.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.595 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 32.4 t60 -101.16 -1.38 34.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 71' ' ' HIS . 13.5 m -120.51 -41.11 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.16 -3.56 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 39.6 mt-10 47.94 51.55 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.4 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -51.9 97.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.03 93.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.461 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.3 m95 -60.06 155.86 41.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.552 0.691 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.3 Cg_endo -69.84 14.29 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.02 30.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.455 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.31 47.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -158.17 168.95 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -156.16 151.09 26.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 20.5 tt0 -104.63 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.472 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 12.2 t-80 -70.5 120.94 81.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -30.55 21.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.51 -53.84 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.89 -49.45 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.98 40.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 86.4 m-70 -128.23 -177.16 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 88.9 m-85 -116.16 125.75 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.595 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 26.5 m-85 -132.48 159.73 38.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -72.34 171.43 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.98 13.49 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -124.17 -12.53 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 47' ' ' THR . 33.7 m170 -123.32 -17.74 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.79 114.53 6.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.74 -171.43 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.6 mt -137.33 134.1 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 49.8 t -37.37 143.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.66 -22.41 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.4 -54.34 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.5 p -99.18 -51.28 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 109.11 40.75 1.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -120.15 176.34 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.75 154.74 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 13.5 mt -121.12 152.65 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.77 -23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.97 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.1 -49.11 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -46.94 150.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 mp -125.42 103.32 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.2 p -67.25 93.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 86.3 t -121.46 103.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 63.61 26.27 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.47 -32.84 6.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -83.65 148.15 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 93.3 m-85 -109.61 142.58 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -138.6 145.14 40.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -67.14 138.56 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -50.67 -27.51 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 62.9 m -84.05 -55.18 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' ARG . 74.7 m -54.61 -53.91 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.15 92.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 89.5 mtt180 -143.86 170.38 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.0 t -58.44 165.1 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.7 t60 -102.35 -1.95 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.555 ' CG2' ' ND1' ' A' ' 71' ' ' HIS . 5.4 m -120.47 -36.09 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -119.45 -3.74 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 36.6 mt-10 48.45 51.42 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.33 131.65 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -41.43 100.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.92 98.81 2.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.454 ' C ' ' H ' ' A' ' 55' ' ' GLY . 9.9 m95 -64.39 154.84 82.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.528 0.68 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.76 13.27 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.705 2.27 . . . . 0.0 112.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.22 35.29 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.26 49.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CA ' HD22 ' A' ' 69' ' ' LEU . 5.6 p90 -158.32 160.71 37.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.4 159.33 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.5 tt0 -113.82 102.83 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.524 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.6 t-80 -59.47 122.41 64.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.12 21.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.58 -65.26 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.1 40.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 63.3 m-70 -122.37 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 33' ' ' VAL . 83.9 m-85 -119.59 120.09 35.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 15.4 m-85 -128.34 160.24 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.5 p -70.17 170.39 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 57' ' ' TYR . 24.7 mt -79.6 16.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -125.14 -20.39 4.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.555 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 35.7 m170 -113.14 -21.43 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tp -45.75 116.91 3.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.75 177.3 5.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' CYS . 13.8 mt -124.16 131.96 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' LEU . 26.1 t -31.2 122.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.577 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -81.85 12.92 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 42' ' ' CYS . 2.7 mt -112.66 -47.92 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -105.64 -47.99 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.7 33.22 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -108.5 -176.48 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.25 141.13 43.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 mt -101.57 167.33 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 51.0 t80 -136.6 167.82 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -48.8 -59.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -81.91 -36.36 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -82.22 59.82 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 34.9 ptt180 -163.15 130.61 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 43' ' ' PHE . 7.6 mp -118.43 103.15 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.59 102.82 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.76 115.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 51.38 31.12 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.92 8.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.7 130.52 34.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.06 150.81 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' CB ' ' A' ' 19' ' ' ALA . 70.3 m-85 -146.3 152.2 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -67.46 166.75 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -79.02 -18.14 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -97.98 -46.16 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' HD13 ' A' ' 20' ' ' LEU . 94.5 m -62.68 -32.04 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CD2' HD22 ' A' ' 31' ' ' LEU . 38.1 t80 -74.32 96.71 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -151.4 174.97 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.54 162.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 26.2 t60 -102.16 -1.46 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.558 HG23 ' CE1' ' A' ' 71' ' ' HIS . 16.0 m -119.13 -37.24 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.79 -8.74 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 6.6 mm-40 56.27 46.11 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.82 51.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.3 m -39.35 113.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.81 95.88 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.447 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -67.61 155.95 90.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 12.55 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -147.08 35.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.24 47.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -158.27 160.68 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -150.42 151.39 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.2 tt0 -107.78 104.96 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 27.8 t-80 -56.7 120.37 36.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -27.44 26.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.74 -72.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -83.56 -51.01 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.62 46.68 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 48.6 m-70 -128.4 -176.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 86.5 m-85 -118.4 123.49 45.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 57.3 m-85 -134.01 161.85 33.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.78 171.51 13.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.7 15.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.8 -12.18 5.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' HG23 ' A' ' 47' ' ' THR . 28.9 m170 -123.26 -18.4 6.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.23 118.41 6.58 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.571 0.701 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.76 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' CYS . 9.5 mt -134.55 131.44 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 31.1 t -34.42 143.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.588 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.47 9.62 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -106.57 -51.32 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -104.54 -37.97 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 42.58 3.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -119.08 174.73 6.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -58.23 148.74 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.14 138.86 50.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.72 153.35 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.18 -15.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.42 1.42 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -122.74 35.56 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -129.79 126.69 38.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 31' ' ' LEU . 9.8 mp -108.58 104.28 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.75 93.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 60.2 t -117.83 112.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 55.61 28.19 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.52 -32.23 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -84.59 140.24 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -96.43 147.49 23.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 67.1 m-85 -142.53 146.7 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 26.6 m170 -64.44 150.43 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -67.73 -8.36 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -109.26 -47.7 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.2 m -57.07 -42.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.95 104.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 93.8 mtt180 -145.24 170.83 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 t -54.56 164.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 31.9 t60 -103.17 0.68 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.564 ' CG2' ' ND1' ' A' ' 71' ' ' HIS . 7.0 m -122.08 -35.3 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.64 -5.18 9.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 29.2 mt-10 51.13 49.59 20.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.07 136.49 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.6 m -46.4 97.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 97.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -69.92 155.89 92.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.51 0.671 . . . . 0.0 110.972 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.393 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -146.49 29.77 1.59 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA2' ' CD1' ' A' ' 69' ' ' LEU . . . -172.17 50.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.23 153.19 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -153.31 154.61 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -103.88 135.87 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 32.5 t-80 -84.88 122.81 74.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.08 9.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.95 -70.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.52 -44.89 11.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.71 32.08 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 39.2 m-70 -116.14 172.28 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.589 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 67.3 m-85 -108.66 122.83 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 28.4 m-85 -128.57 163.94 23.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.4 p -74.33 169.85 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -78.19 12.86 1.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -123.14 -12.35 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.564 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 31.8 m170 -122.23 -20.49 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 4.7 tp -52.24 116.23 8.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.58 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.78 173.51 10.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.897 0.38 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' CYS . 21.9 mt -127.26 134.73 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LEU . 35.4 t -29.99 119.98 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -80.53 12.86 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 4.5 mt -112.69 -48.06 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.38 -47.24 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.35 41.73 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.385 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.8 143.03 57.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 39' ' ' HIS . 64.4 mt -105.86 164.83 11.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -120.7 -176.52 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.17 -46.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.69 21.73 10.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -129.43 -34.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.49 134.77 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.666 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 4.5 mp -105.95 101.55 11.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -66.68 98.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 64.2 t -124.18 100.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 49.46 48.78 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 -33.05 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -80.6 132.27 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -109.29 143.49 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 7.7 m-85 -140.32 170.11 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD21 ' A' ' 25' ' ' LEU . 10.7 m170 -82.44 154.08 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CD ' HD11 ' A' ' 31' ' ' LEU . 15.5 mmt85 -69.63 -16.99 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 84.5 p -97.95 -48.31 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.42 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 37.9 t80 -61.98 95.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 41' ' ' SER . 63.8 mtt180 -144.95 172.43 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 t -56.25 165.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 38.6 t60 -101.45 -3.2 29.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.569 HG23 ' CE1' ' A' ' 71' ' ' HIS . 10.8 m -119.46 -38.35 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.5 p -114.47 -4.92 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 42.6 mt-10 49.37 46.12 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.12 141.77 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.8 m -54.97 96.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.16 93.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.42 154.04 94.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 76.97 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.59 26.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.8 40.11 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -153.47 171.07 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -160.46 157.03 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.7 tt0 -108.75 112.68 25.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.501 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.7 t-80 -63.44 128.85 93.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.05 26.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.36 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.97 -51.97 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.79 43.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 88.7 m-70 -127.12 -174.42 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 35.4 m-85 -119.87 124.72 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 12.4 m-85 -131.59 164.68 25.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 70' ' ' GLN . 30.9 p -73.41 168.05 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.22 15.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 68' ' ' CYS . 54.0 tp60 -123.85 -18.66 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 47' ' ' THR . 41.8 m170 -117.68 -18.64 9.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -49.47 116.06 5.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.75 -172.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.29 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -126.06 136.62 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 9.6 t -40.47 162.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -99.84 -39.83 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 42' ' ' CYS . 1.5 mp -53.92 -65.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.39 -51.79 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 108.63 42.59 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.8 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.54 150.05 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 39' ' ' HIS . 35.6 mt -121.31 162.84 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -113.71 159.66 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -61.82 -14.91 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -118.64 -53.9 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -51.73 -36.48 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -61.19 139.57 58.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.68 102.98 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.63 109.71 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.62 102.05 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 61.59 31.86 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.41 -37.33 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -75.81 169.68 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -130.65 147.36 52.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 16.8 m-85 -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CD2' HD21 ' A' ' 25' ' ' LEU . 39.5 m80 -72.44 154.63 40.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -59.8 -30.97 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 m -85.18 -52.05 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' CB ' HD22 ' A' ' 20' ' ' LEU . 4.6 m -52.37 -44.04 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -73.46 105.55 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -162.37 169.07 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 17.0 t -49.08 164.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.6 t60 -104.55 -4.11 23.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.57 HG21 ' CE1' ' A' ' 71' ' ' HIS . 12.7 m -116.08 -32.25 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 14.5 p -119.26 -9.06 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 90.6 mt-10 57.33 37.69 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.27 126.45 39.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.3 m -39.98 113.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.95 97.36 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.481 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.5 m95 -64.44 154.24 84.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.541 0.686 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 16.81 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -152.25 39.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.41 49.46 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.59 157.49 32.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -147.0 160.45 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.9 tt0 -108.86 110.13 21.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 31.8 t-80 -59.38 134.1 88.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.74 -35.96 11.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.78 -95.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.69 -51.37 38.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.74 40.06 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 50.7 m-70 -123.93 -175.03 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 34.9 m-85 -108.58 119.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.4 m-85 -129.92 160.42 33.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.0 168.89 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.3 mt -79.95 17.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -124.23 -21.78 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' A' ' 47' ' ' THR . 35.3 m170 -113.29 -20.48 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 tp -47.53 113.37 2.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.68 177.11 5.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' C ' HD11 ' A' ' 25' ' ' LEU . 7.3 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' CYS . 15.2 mt -130.72 133.6 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' LEU . 34.9 t -31.98 130.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -88.0 3.03 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -101.87 -49.37 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -105.26 -40.89 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.43 36.95 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.08 178.89 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -62.19 153.6 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 16' ' ' ASP . 16.9 mt -122.9 172.59 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -128.02 153.23 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.94 -16.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.5 -59.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ARG . 29.3 mt-10 -47.72 -56.06 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HD3' ' CD2' ' A' ' 37' ' ' PHE . 3.9 ptp180 -34.19 136.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 43' ' ' PHE . 1.2 mt -107.22 96.27 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HA ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 m -66.75 89.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.76 112.88 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 61.13 30.8 19.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.93 -30.24 4.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 38' ' ' PHE . 99.0 m-70 -82.77 138.43 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' HD3' ' A' ' 30' ' ' ARG . 11.9 m-30 -106.45 134.19 49.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -134.63 161.04 36.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -75.67 142.31 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -58.65 -23.02 58.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.2 t -86.88 -46.08 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.82 -46.59 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CB ' HD13 ' A' ' 31' ' ' LEU . 1.9 t80 -67.39 92.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 83.9 mtt180 -127.97 178.03 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.84 164.37 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.4 t60 -102.49 -0.09 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.572 ' CG2' ' CE1' ' A' ' 71' ' ' HIS . 6.8 m -120.82 -37.98 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.1 p -117.73 -5.56 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 51.72 47.49 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.74 146.58 24.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -55.0 100.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.45 99.5 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.49 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.2 m95 -71.46 156.26 91.71 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 16.2 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -148.82 34.2 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 69' ' ' LEU . . . -175.47 49.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -158.1 159.81 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -150.83 154.5 37.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 19.8 tt0 -109.86 110.3 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.486 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 16.8 t-80 -68.46 123.1 86.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.613 0.721 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.92 -51.9 3.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -99.07 -52.52 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.7 35.62 1.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 58.4 m-70 -125.33 179.76 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 70.4 m-85 -112.65 123.44 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 29.4 m-85 -129.34 162.83 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.92 172.1 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 28.0 mt -80.52 15.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -125.89 -11.24 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 47' ' ' THR . 29.9 m170 -123.97 -19.53 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.25 115.66 5.7 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.611 0.72 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.76 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' CYS . 19.8 mt -129.92 132.47 46.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -36.79 153.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -80.2 -45.42 18.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 42' ' ' CYS . 3.0 mp -53.86 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 p -102.12 -48.65 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 81.52 53.99 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -92.04 -62.57 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -171.58 126.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 39' ' ' HIS . 51.3 mt -102.68 146.11 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.6 t80 -114.94 152.82 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.45 -25.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.2 mt -108.55 -72.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LEU . 17.9 mt-10 -33.37 -37.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.6 ptp180 -61.03 132.66 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 30' ' ' ARG . 8.5 mp -117.39 99.61 7.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.19 113.77 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.576 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 40.3 t -133.12 106.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 54.7 40.92 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.59 -35.48 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -87.17 132.89 33.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' CB ' HD12 ' A' ' 25' ' ' LEU . 37.2 m-85 -96.01 157.33 15.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 93.2 m-85 -146.12 154.03 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.542 ' CD2' HD23 ' A' ' 25' ' ' LEU . 11.6 m170 -70.36 139.24 51.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.92 -15.55 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.8 t -99.76 -48.64 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 65.2 m -56.73 -51.66 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 41' ' ' SER . 95.7 mtt180 -139.51 169.01 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.1 t -55.04 162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 30.7 t60 -100.15 0.17 40.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.567 ' CG2' ' CE1' ' A' ' 71' ' ' HIS . 13.8 m -122.74 -40.84 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.23 -5.78 14.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 17.9 mt-10 50.85 50.07 19.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.36 139.87 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 m -49.41 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.43 96.88 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.7 m95 -66.36 156.16 86.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 15.64 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.14 27.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.45 49.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -158.16 163.5 37.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -152.92 154.05 34.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.57 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 16.3 tt0 -108.04 111.6 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 t-80 -66.03 129.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.39 12.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -42.63 -82.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.65 -59.08 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.61 37.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.6 m-70 -123.71 -175.3 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CZ ' HG12 ' A' ' 33' ' ' VAL . 94.8 m-85 -114.33 123.91 50.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.0 m-85 -128.24 163.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 p -75.45 171.69 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.29 14.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -126.22 -8.38 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 47' ' ' THR . 25.8 m170 -126.76 -20.15 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.73 114.82 4.48 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.4 Cg_endo -69.71 -177.16 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.379 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.8 mt -140.74 137.99 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.663 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 6.0 t -40.53 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -96.94 -41.14 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -54.64 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 104.05 41.07 2.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.86 174.45 5.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -58.45 145.17 39.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.526 HD22 ' CD2' ' A' ' 39' ' ' HIS . 45.8 mt -111.65 148.41 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -106.33 169.62 8.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.03 -20.06 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -117.82 15.16 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -126.65 -27.13 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -70.38 138.98 51.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 31' ' ' LEU . 10.1 mp -117.28 107.44 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.7 p -69.61 102.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 87.4 t -126.18 96.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.32 27.49 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.37 -35.47 4.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -79.49 151.51 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -111.22 139.65 46.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -134.59 151.06 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 35.1 m80 -74.04 134.26 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -43.1 -33.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.472 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 89.9 p -81.02 -58.07 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.5 m -47.03 -54.67 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -48.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' NE ' ' O ' ' A' ' 41' ' ' SER . 69.2 mtt-85 -142.62 170.77 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.86 164.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 34.6 t60 -103.43 2.79 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.557 ' CG2' ' ND1' ' A' ' 71' ' ' HIS . 10.7 m -123.37 -35.11 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.34 -5.41 9.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 16.4 mt-10 52.88 47.51 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.59 131.42 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.4 m -40.94 104.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.95 95.29 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.449 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.2 m95 -63.67 155.84 74.57 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.47 27.34 1.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.15 47.97 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -158.35 167.66 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -160.98 154.33 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.529 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.2 tt0 -106.35 105.78 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.7 t-80 -60.04 122.76 68.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -43.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.49 -55.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.5 -65.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.23 35.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.7 m-70 -121.54 173.56 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 96.4 m-85 -107.95 125.92 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 33.7 m-85 -134.98 163.94 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -75.09 169.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 mt -78.01 14.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -122.85 -19.72 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.557 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 30.8 m170 -114.76 -20.06 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.4 tp -46.85 116.57 4.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.02 2.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -129.71 138.64 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 t -40.64 161.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -100.28 -36.98 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -63.36 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.44 -49.3 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.92 32.08 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -101.62 -177.67 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -66.44 144.05 56.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 mt -113.0 145.97 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -104.35 145.21 30.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -41.51 -27.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.88 -50.18 3.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.14 55.9 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -150.7 129.9 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 31' ' ' LEU . 10.9 mp -112.17 105.78 14.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.54 106.32 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 t -133.48 129.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.5 m120 47.4 25.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.09 -33.59 5.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.13 147.65 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 96.7 m-85 -102.39 150.69 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 7.2 m-85 -147.0 146.85 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.477 ' CD2' HD23 ' A' ' 25' ' ' LEU . 17.8 m170 -64.59 166.73 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -74.37 -18.96 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 t -99.35 -47.69 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 m -55.84 -37.54 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 16.5 t80 -73.47 101.24 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -159.54 167.87 27.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 14.1 t -47.37 163.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.3 t60 -104.41 -4.63 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 ' CE1' ' A' ' 71' ' ' HIS . 8.6 m -117.09 -30.66 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 18.9 p -120.53 -7.32 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 28.3 mt-10 55.81 29.71 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 125.09 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -39.76 114.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 92.4 mt -80.94 102.29 10.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.455 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.8 m95 -71.03 154.83 93.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 11.48 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.69 37.93 1.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.99 52.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -158.53 169.25 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -158.66 150.36 21.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 29.1 tt0 -102.46 116.67 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 30.3 t-80 -76.81 122.54 86.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.8 Cg_endo -69.71 -40.45 5.38 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -33.98 -51.61 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.9 -50.95 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.94 41.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 26.8 m-70 -127.81 -174.64 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 95.4 m-85 -118.75 123.15 44.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 9.7 m-85 -129.25 164.72 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.34 169.3 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -79.09 15.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -125.1 -16.39 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.535 ' CE1' HG23 ' A' ' 47' ' ' THR . 42.2 m170 -118.51 -19.92 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.99 113.93 2.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 74' ' ' GLN . 6.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.882 0.373 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -127.69 137.33 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 19' ' ' ALA . 6.8 t -40.41 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -95.29 -42.0 8.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -54.84 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -101.65 -49.19 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 87.06 51.15 3.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.32 -71.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -173.14 127.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' CB ' ' A' ' 37' ' ' PHE . 17.3 mt -101.34 146.16 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 40.5 t80 -119.66 173.28 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 45.8 t -57.34 -44.08 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 mt -105.74 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -134.98 7.42 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -110.75 129.49 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 31' ' ' LEU . 10.3 mp -108.0 99.73 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.91 111.04 4.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 58.0 t -130.13 106.56 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 54.37 36.31 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 -38.82 2.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -75.26 176.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . 91.4 m-85 -136.5 152.83 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 36.3 m-85 -147.07 159.09 44.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 23.5 m80 -78.71 140.83 38.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -50.65 -27.67 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -86.52 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.1 m -47.27 -52.85 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 5.0 t80 -49.23 96.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 65.1 mtt180 -135.53 166.59 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.61 162.65 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.6 t60 -99.06 1.65 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.558 HG22 ' CE1' ' A' ' 71' ' ' HIS . 14.5 m -123.19 -43.29 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.89 -5.87 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 63.0 mt-10 50.79 51.55 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.5 133.24 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.3 m -43.55 102.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 75.0 mt -70.81 94.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.479 ' C ' ' H ' ' A' ' 55' ' ' GLY . 29.9 m95 -60.96 154.85 57.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 0.0 110.968 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 17.12 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -153.75 30.68 0.75 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.57 49.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.31 162.43 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -158.64 160.68 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -109.28 137.43 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 24.4 t-80 -91.59 126.58 53.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -30.93 21.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.23 13.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.33 -56.87 3.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.58 25.52 3.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 96.1 m-70 -118.9 176.83 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.663 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 71.3 m-85 -109.0 125.14 51.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 31.3 m-85 -129.45 163.86 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.94 170.92 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -79.23 15.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -126.96 -11.89 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.4 m170 -123.72 -19.53 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.01 116.6 8.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.636 0.731 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.79 -170.59 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.38 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' CYS . 14.9 mt -125.88 137.08 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' LEU . 47.8 t -32.06 126.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.635 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -84.98 18.08 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 42' ' ' CYS . 7.7 mt -119.74 -48.46 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.22 -48.46 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.96 42.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -121.21 173.49 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -61.76 147.73 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 39' ' ' HIS . 39.5 mt -112.95 149.0 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -103.65 -178.14 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.08 -53.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.85 27.67 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.69 -37.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -61.52 131.73 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -106.52 100.48 10.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.16 101.99 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.58 103.68 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 59.91 34.63 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.05 -33.6 4.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -84.39 136.0 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 74.6 m-85 -99.86 150.81 21.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.635 ' CE2' ' CB ' ' A' ' 19' ' ' ALA . 13.9 m-85 -146.97 163.98 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CD2' HD22 ' A' ' 25' ' ' LEU . 22.1 m170 -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -78.28 -7.51 57.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 13.6 t -107.27 -45.77 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ARG . 68.9 m -61.2 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.45 84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' CYS . 84.0 mtt180 -130.69 173.96 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 t -57.58 164.67 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 53.5 t60 -100.65 -4.2 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.574 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.8 m -119.84 -39.55 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -113.62 -4.95 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 48.1 46.74 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 133.47 40.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 m -42.62 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.71 93.85 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.481 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -66.04 157.12 82.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 15.55 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.29 35.03 1.07 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.55 49.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -158.5 168.33 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.7 mm-40 -152.44 153.89 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 32.2 tt0 -111.96 103.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 22.8 t-80 -60.83 126.5 85.62 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.56 0.695 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.75 -43.3 2.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.03 -68.26 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.01 -56.2 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.52 36.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.4 m-70 -121.3 -175.84 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 87.7 m-85 -116.46 124.62 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 23.8 m-85 -131.28 162.26 30.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.9 p -74.53 170.94 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.76 16.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -126.78 -13.86 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' CE1' HG22 ' A' ' 47' ' ' THR . 32.5 m170 -121.87 -18.41 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 58' ' ' GLU . 6.2 tp -51.38 117.99 10.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.81 179.75 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -131.69 114.44 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -160.16 160.17 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.8 84.24 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -136.47 106.55 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.386 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -153.17 109.07 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.63 69.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -107.64 154.11 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -122.64 104.18 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -147.61 170.63 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.65 169.98 22.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.88 -54.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.78 -178.13 20.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 159.38 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.72 51.98 4.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.23 50.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.472 ' CA ' HD13 ' A' ' 25' ' ' LEU . 1.3 mt -133.29 135.62 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 40.6 t -41.01 162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -100.92 -36.68 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 42' ' ' CYS . 2.2 mp -56.18 -59.9 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 p -98.96 -52.83 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.26 37.14 2.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -104.14 177.8 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -64.45 146.2 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD23 ' CD2' ' A' ' 39' ' ' HIS . 22.5 mt -116.12 146.37 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.99 172.24 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -77.34 -20.45 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.6 mt -118.51 13.18 13.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -124.7 -22.97 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 -74.52 143.98 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.22 104.77 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.9 p -69.2 96.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 96.2 t -123.42 101.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.6 30.51 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.51 -31.21 7.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -83.61 147.37 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.415 ' CB ' HD12 ' A' ' 25' ' ' LEU . 68.2 m-85 -107.07 144.69 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -139.62 154.06 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 37.6 m80 -75.82 140.65 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -50.71 -28.73 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 39.6 m -84.91 -53.04 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.3 m -50.93 -56.77 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.97 101.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.8 mtt180 -148.97 173.18 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 20.1 t -63.06 166.76 5.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.4 t60 -101.89 -7.15 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.558 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.9 m -118.98 -30.56 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.42 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 30.6 p -123.22 0.16 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 14.8 pt-20 40.32 44.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.28 130.94 41.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -41.22 103.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.35 95.06 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -66.97 154.22 92.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 79.62 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.46 -7.37 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.71 43.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.404 ' CA ' HD21 ' A' ' 69' ' ' LEU . 10.9 p90 -157.58 166.62 32.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.85 148.1 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.573 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.9 tt0 -103.57 96.73 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 33.4 t-80 -48.14 133.89 12.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.21 -89.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -61.14 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 49.3 m-70 -114.24 -174.32 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 98.0 m-85 -116.26 122.05 43.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.6 m-85 -131.22 158.14 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.9 p -69.45 170.65 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' CA ' ' A' ' 57' ' ' TYR . 10.7 mt -78.93 13.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.55 -14.39 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 47' ' ' THR . 40.4 m170 -121.82 -17.54 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 tp -51.19 117.06 8.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.73 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' THR . 28.2 mm-40 -160.97 129.47 4.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' GLN . 73.8 p -34.0 138.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -97.46 128.93 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' GLY . 15.2 m -153.47 154.06 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' SER . . . -37.01 119.5 0.6 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.3 Cg_endo -69.75 -39.49 6.46 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . 7.1 m 35.13 40.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.0 m -95.48 144.61 25.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 58.59 43.98 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -91.6 165.27 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 140.14 3.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -172.78 134.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -164.85 147.6 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.83 102.76 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.34 158.73 44.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -161.0 149.61 16.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -135.39 105.83 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -98.35 149.92 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.74 132.17 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.8 135.06 3.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.97 166.78 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.91 37.32 3.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.2 m-20 -130.16 41.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.1 mt -132.26 136.91 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.2 t -35.69 150.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -96.75 -26.12 15.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.9 mm? -71.68 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -92.28 -50.63 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.6 36.27 2.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -109.28 176.74 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.92 149.35 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 72.0 mt -113.68 147.85 37.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -109.97 155.66 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.2 m -47.46 -23.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.0 mt -108.67 -42.97 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.05 48.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' NH1' ' SG ' ' A' ' 32' ' ' CYS . 25.9 ptt85 -146.31 133.2 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD11 ' CD ' ' A' ' 40' ' ' ARG . 8.6 mp -115.79 104.86 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' SG ' ' NH1' ' A' ' 30' ' ' ARG . 1.9 m -67.4 98.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.427 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 93.5 t -123.67 99.76 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 54.81 38.75 30.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.67 -38.12 3.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -76.87 138.29 39.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 71.1 m-85 -110.61 146.53 35.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -141.76 164.24 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -76.51 148.49 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' CD ' HD11 ' A' ' 31' ' ' LEU . 24.5 mmm-85 -65.37 -12.78 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.509 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.7 m -99.54 -50.13 4.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.4 m -58.92 -50.63 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -50.99 103.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 41' ' ' SER . 91.3 mtt-85 -150.76 171.06 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.5 t -56.03 162.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 31.5 t60 -99.03 -0.57 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.577 ' CG2' ' CE1' ' A' ' 71' ' ' HIS . 9.2 m -122.27 -42.64 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.99 -4.6 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 44.9 mt-10 48.63 53.0 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.78 136.36 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 m -45.11 104.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.88 94.83 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.59 154.69 92.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 79.66 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.19 -15.91 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.06 44.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.429 ' N ' HD23 ' A' ' 69' ' ' LEU . 9.0 p90 -158.25 164.6 36.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -151.5 148.96 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 33.8 tt0 -104.97 102.78 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 44.9 t-80 -54.65 132.82 64.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.79 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.7 -91.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.15 -58.38 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.98 44.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 75.6 m-70 -125.93 -178.99 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 96.4 m-85 -113.36 122.99 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 30.0 m-85 -130.92 161.93 30.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.45 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 57' ' ' TYR . 11.1 mt -77.86 12.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -124.66 -10.07 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CE1' ' CG2' ' A' ' 47' ' ' THR . 30.4 m170 -126.2 -17.38 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 tp -54.03 118.43 15.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.74 -178.16 2.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -139.66 109.37 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -55.6 108.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -58.28 -48.27 80.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -53.21 139.88 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.8 174.86 19.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.67 23.81 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.4 p -153.32 169.31 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -78.46 157.25 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.496 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -171.13 132.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -146.69 112.18 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.35 161.3 20.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -119.86 -47.83 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -160.91 130.51 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.1 46.42 1.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.51 105.1 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -56.88 -50.51 72.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -172.49 168.33 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -115.84 -49.41 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.59 150.45 47.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.27 52.92 0.81 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.33 163.32 18.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.25 56.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' C ' HD13 ' A' ' 25' ' ' LEU . 1.7 t70 -126.54 62.67 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.9 mt -129.91 130.6 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' LEU . 37.6 t -33.19 147.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -91.86 -21.73 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.94 -66.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -79.74 -49.68 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.8 37.02 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -111.42 -178.89 3.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.99 153.44 33.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 17' ' ' LEU . 34.9 mt -123.49 158.89 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -113.55 153.3 29.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.81 -34.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -95.19 -59.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ARG . 48.8 mt-10 -45.03 -58.42 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' GLU . 28.2 ptt180 -36.92 131.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' PHE . 2.3 tp -104.63 101.37 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.7 p -67.7 103.7 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 73.7 t -132.87 105.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 61.31 29.25 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.1 -34.43 5.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 m-70 -77.08 158.94 30.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 98.5 m-85 -120.95 140.33 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -145.66 161.52 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' SER . 29.9 m170 -76.77 122.72 25.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -39.13 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 4.5 t -86.13 -52.58 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 m -52.68 -56.52 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.05 101.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 41' ' ' SER . 74.6 mtt180 -141.54 -179.63 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 16.8 t -62.74 167.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.5 t60 -103.47 -7.89 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.3 m -117.88 -28.61 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.0 p -126.35 -0.17 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 48' ' ' CYS . 11.1 pt-20 41.92 45.34 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.69 130.05 42.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 m -39.97 98.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.94 97.08 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 8.7 m95 -62.45 155.36 68.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.708 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 8.51 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.93 26.52 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.19 48.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 53' ' ' TRP . 3.3 p90 -158.03 170.15 22.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -154.58 141.3 19.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 23.7 tt0 -98.39 110.8 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 34.0 t-80 -65.82 126.17 91.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.31 24.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.8 -76.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -79.4 -58.62 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.42 38.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 25.7 m-70 -122.19 -173.88 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 84.0 m-85 -119.38 124.81 47.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 12.1 m-85 -130.93 159.72 36.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.4 171.48 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 57' ' ' TYR . 19.4 mt -80.82 15.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -127.18 -9.69 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CE1' HG22 ' A' ' 47' ' ' THR . 37.5 m170 -125.37 -19.76 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 tp -48.95 118.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.56 3.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -154.11 143.11 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.5 p -40.94 158.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -118.88 109.76 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.4 m -67.87 83.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.76 119.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.11 7.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.7 m -127.53 112.78 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 t -151.4 140.34 21.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.49 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -121.89 152.46 39.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -141.18 164.79 29.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.49 140.72 11.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -154.29 153.26 31.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -165.75 167.58 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.23 -166.89 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -175.04 129.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -166.63 114.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -160.42 129.77 5.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -137.53 155.77 48.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -45.0 76.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.27 -102.06 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.1 116.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.14 64.96 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' C ' HD11 ' A' ' 25' ' ' LEU . 6.7 p-10 -99.13 37.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' CYS . 2.0 mt -126.42 134.32 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LEU . 54.1 t -37.3 154.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.27 -29.1 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . 3.9 mm? -65.67 -54.43 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.22 -50.43 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 106.35 42.1 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -116.59 -177.35 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -61.62 157.48 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 69.2 mt -124.96 144.25 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -118.32 171.36 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.8 -61.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.42 5.51 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -130.1 55.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -162.9 133.09 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.1 mp -114.17 105.48 13.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.75 91.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 49.0 t -121.17 120.32 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.1 36.57 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.86 5.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -80.76 146.22 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 79.7 m-85 -113.34 145.51 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -146.67 160.75 41.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -72.71 150.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -64.49 -15.89 61.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 m -98.93 -49.93 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 81.4 m -55.12 -48.41 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 48.7 t80 -56.38 102.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 60.4 mtt180 -147.12 171.81 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.8 t -51.82 164.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.1 t60 -102.61 -0.94 31.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.566 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.2 m -121.74 -32.55 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.98 -7.95 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 9.1 mp0 52.63 50.59 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.11 137.64 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -47.45 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 89.9 mt -69.33 89.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -58.76 154.0 38.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 82.25 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -1.23 2.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.08 44.33 1.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -158.08 173.66 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -157.76 150.72 23.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.4 tt0 -106.8 104.16 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.2 t-80 -58.91 127.42 83.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.42 18.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.91 -78.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.76 -53.24 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.21 39.57 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 8.7 m-70 -126.42 -174.87 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 73.8 m-85 -116.93 126.42 52.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.7 m-85 -132.62 164.79 25.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.8 p -76.72 170.16 16.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.13 12.08 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -122.43 -10.5 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 47' ' ' THR . 29.7 m170 -125.23 -19.24 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.6 117.65 9.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.55 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 52.9 Cg_endo -69.81 -180.0 3.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -154.07 111.73 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ASP . 5.2 t -80.32 -30.04 38.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' THR . 4.2 p-10 36.08 45.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.2 t 37.26 54.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.27 158.33 47.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 107.96 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.7 m -129.46 108.35 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p -148.03 162.17 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.457 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -129.13 81.82 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -140.05 155.14 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.54 96.95 1.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -149.73 165.06 33.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -156.6 147.0 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.97 137.43 4.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -135.92 144.04 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -122.04 175.82 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -128.12 162.21 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -124.6 151.55 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.03 153.74 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.18 -58.79 0.58 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.77 116.97 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.56 47.33 3.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.447 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.4 47.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -134.45 135.64 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 29.2 t -38.67 156.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.556 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -88.42 -39.37 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.4 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -106.65 -50.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.13 50.05 3.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -88.49 -70.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -169.68 128.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 39' ' ' HIS . 20.3 mt -103.49 158.77 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -130.18 168.49 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.32 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.41 8.45 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -123.21 -44.36 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -46.69 144.57 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.92 98.02 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.56 116.16 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.4 t -133.38 96.72 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m120 67.31 33.25 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.79 -37.84 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.58 174.49 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 93.9 m-85 -130.1 148.1 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' ' CB ' ' A' ' 19' ' ' ALA . 4.4 m-85 -145.74 165.47 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 27.9 m170 -80.12 121.94 26.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' HIS . 11.2 mmm-85 -38.18 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.4 m -88.6 -56.54 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.0 m -47.14 -47.92 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.27 102.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -147.43 175.51 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.95 165.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.601 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 29.5 t60 -103.4 -0.17 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.543 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.9 m -120.72 -35.2 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.8 p -120.83 -4.51 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 50.45 49.83 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 137.88 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -46.16 100.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.1 mt -72.8 97.31 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.456 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.4 m95 -66.95 155.28 90.47 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.72 30.93 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.76 44.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.417 ' CA ' HD21 ' A' ' 69' ' ' LEU . 3.3 p90 -158.38 167.12 30.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -154.22 150.52 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 37.6 tt0 -101.64 107.25 18.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 15.0 t-80 -64.48 124.34 85.61 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.95 11.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -38.14 -67.47 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -91.53 -45.35 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.32 1.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 91.0 m-70 -123.39 -175.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 63.2 m-85 -114.76 125.33 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 35.8 m-85 -135.18 160.34 38.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.93 172.42 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD21 ' CA ' ' A' ' 57' ' ' TYR . 24.4 mt -80.21 13.92 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.01 -10.39 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.543 ' CE1' HG21 ' A' ' 47' ' ' THR . 34.9 m170 -124.85 -19.65 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.03 115.4 4.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.497 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.9 Cg_endo -69.79 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -151.24 111.96 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -44.54 165.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -169.31 124.15 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t 53.27 42.46 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -147.22 84.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 117.25 4.97 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -62.88 137.49 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.476 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -170.49 163.56 8.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -163.54 175.33 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.29 -168.77 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 p -166.71 158.31 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -127.42 153.31 46.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.0 140.81 12.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -152.48 109.6 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -131.63 82.4 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.11 135.71 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -173.92 137.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.24 148.42 27.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.74 122.44 4.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.88 126.55 33.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.93 48.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' C ' HD13 ' A' ' 25' ' ' LEU . 1.1 m-20 -126.1 45.58 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.01 136.24 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.8 t -43.17 152.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.51 -26.97 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.25 -53.94 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.55 -52.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.64 33.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.13 173.38 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.51 144.61 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 39' ' ' HIS . 18.2 mt -110.35 157.74 19.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 77.1 t80 -125.94 167.92 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 38.7 t -43.12 -61.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.71 -29.55 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -88.98 57.05 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -162.84 125.6 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD11 ' CD ' ' A' ' 40' ' ' ARG . 5.0 mp -108.03 97.88 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.26 95.4 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.486 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 48.4 t -126.09 124.73 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 49.39 30.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.82 -28.37 7.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -86.62 140.25 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.455 ' CB ' HD12 ' A' ' 25' ' ' LEU . 13.3 m-85 -103.07 147.48 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 5.0 m-85 -146.94 156.76 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CD2' HD21 ' A' ' 25' ' ' LEU . 38.6 m80 -71.96 154.14 41.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.455 ' CD ' HD11 ' A' ' 31' ' ' LEU . 17.9 mmt180 -69.15 -21.41 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.503 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.0 p -93.8 -40.5 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 73.7 m -63.83 -53.28 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.8 96.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' NE ' ' O ' ' A' ' 41' ' ' SER . 84.8 mtt180 -139.51 172.75 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.4 t -54.99 165.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 25.0 t60 -103.52 -3.76 24.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.0 m -119.46 -32.51 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.17 -6.73 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 5.5 mp0 50.5 51.2 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.33 134.24 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -41.58 102.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.47 98.39 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.406 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.3 m95 -68.14 155.84 91.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 7.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -142.63 38.03 1.48 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.07 49.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.11 162.75 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.377 . . . . 0.0 110.926 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -153.38 145.62 23.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 13.7 tt0 -102.11 107.98 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 17.1 t-80 -59.91 130.88 88.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -19.93 35.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.16 -98.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -42.36 79.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.48 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.514 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 87.5 m-70 -126.76 -179.7 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 59' ' ' GLN . 88.8 m-85 -110.52 122.88 48.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.6 m-85 -127.39 163.82 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -74.83 172.7 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.4 mt -82.06 16.34 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -127.25 -10.0 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 47' ' ' THR . 28.5 m170 -124.04 -21.3 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 tp -49.16 115.25 4.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.78 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -152.39 135.2 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.8 p -56.88 154.56 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -126.26 -44.34 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 t -96.36 159.74 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.54 39.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 124.6 11.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p 48.62 41.95 18.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -45.42 -55.55 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.489 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 57.5 p 36.17 43.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -154.63 154.69 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.49 179.02 47.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -173.3 110.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 p -168.88 159.68 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.93 71.25 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -149.82 108.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 4.1 p80 -147.7 105.81 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -94.56 91.74 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -119.17 39.65 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.98 80.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.28 124.02 1.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLY . . . -92.36 36.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . 37.02 52.61 1.57 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.21 42.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.4 mt -133.29 134.17 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.8 t -34.35 147.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -90.92 -24.56 20.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 42' ' ' CYS . 2.8 mp -73.7 -69.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -80.43 -51.37 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.19 42.96 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.29 175.4 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -54.22 160.42 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 17' ' ' LEU . 50.3 mt -129.29 141.87 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -91.81 171.9 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.92 -1.26 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -123.95 -37.78 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 31.9 mt-10 -71.93 -52.11 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' GLU . 25.2 ptt180 -37.16 134.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 95.4 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.63 92.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.22 115.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.82 25.61 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.3 -29.35 8.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.2 m-70 -81.64 153.73 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -116.48 132.18 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 2.4 m-85 -132.14 162.68 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -79.1 142.45 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -61.7 -10.05 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -104.07 -36.45 7.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 10.3 m -68.6 -55.02 12.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.94 95.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 97.8 mtt180 -138.32 173.66 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.83 165.83 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.3 t60 -103.3 -4.42 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.571 HG21 ' CE1' ' A' ' 71' ' ' HIS . 8.7 m -119.99 -28.77 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.4 p -127.01 -2.39 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 10.4 pt-20 44.92 51.06 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.05 130.6 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 m -38.96 101.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.75 106.79 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -79.7 155.48 75.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 6.96 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -137.91 29.79 2.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.2 49.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -158.24 166.15 33.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -161.15 154.43 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 53.1 tt0 -100.11 124.17 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 19.1 t-80 -77.43 125.37 86.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.52 36.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.82 -82.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.52 -42.43 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 73.0 m-70 -118.9 -177.47 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 80.9 m-85 -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 13.0 m-85 -129.11 159.31 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.71 169.97 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.4 mt -80.06 15.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.2 -11.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.571 ' CE1' HG21 ' A' ' 47' ' ' THR . 28.0 m170 -122.41 -21.52 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.63 112.09 1.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.2 Cg_endo -69.81 175.63 7.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' THR . 20.7 mm-40 -150.83 109.9 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.7 p -37.26 116.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.35 43.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -66.26 148.5 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.77 70.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 p -155.34 141.44 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.2 p -50.36 117.01 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -154.41 108.12 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.66 86.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -126.72 41.36 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.807 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -139.65 171.61 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.37 154.68 8.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.96 148.87 15.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -128.56 127.78 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -113.12 144.28 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -86.83 170.42 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.29 36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.3 -100.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.5 108.9 15.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.54 38.01 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -125.12 62.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' N ' HD13 ' A' ' 25' ' ' LEU . 4.6 mt -127.12 134.13 50.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 25.6 t -39.5 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -94.9 -38.41 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.71 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -79.11 -51.94 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 105.56 36.47 2.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -108.14 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -57.55 153.09 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 39' ' ' HIS . 14.8 mt -117.63 175.74 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -133.89 179.45 6.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -76.31 -54.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.92 26.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -133.99 -51.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -45.75 144.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.3 97.77 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.77 89.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.62 130.97 56.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 48.37 44.1 19.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.31 21.9 62.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -129.0 159.72 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -117.71 129.38 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 27.0 m-85 -130.77 161.14 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' CD2' HD22 ' A' ' 25' ' ' LEU . 32.8 m80 -81.78 131.56 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -50.33 -17.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -93.86 -45.91 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' ARG . 4.2 m -59.72 -55.32 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.43 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 82.4 mtt180 -136.75 169.78 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.19 166.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 23.5 t60 -103.03 -5.49 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.2 m -120.23 -28.78 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 29.4 p -125.07 -1.54 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 11.8 pt-20 43.57 45.23 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 131.91 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.6 m -40.93 102.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.38 100.92 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.405 ' C ' ' H ' ' A' ' 55' ' ' GLY . 3.4 m95 -70.45 155.39 93.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.516 0.674 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 7.47 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -142.87 34.4 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.74 49.07 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.427 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CA ' HD22 ' A' ' 69' ' ' LEU . 5.6 p90 -158.36 164.19 36.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -155.5 146.17 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 43.8 tt0 -99.49 113.15 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -68.81 124.8 91.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -42.48 3.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.89 -60.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.33 -54.83 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 30.6 m-70 -116.86 178.23 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 74.4 m-85 -114.12 121.68 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.3 m-85 -129.21 161.54 29.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.0 p -72.05 169.15 16.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD22 ' CA ' ' A' ' 57' ' ' TYR . 15.8 mt -78.01 15.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 68' ' ' CYS . 7.4 tp-100 -124.12 -18.33 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' HG22 ' A' ' 47' ' ' THR . 38.3 m170 -118.12 -18.79 9.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -50.89 114.56 4.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -173.67 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -148.08 -177.84 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.3 p -90.63 48.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -42.17 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -115.22 150.56 35.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.31 85.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.08 3.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -119.62 87.52 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -102.07 147.85 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -69.05 -43.6 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 62.89 42.19 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.3 167.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -156.74 106.56 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -101.35 -50.72 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.76 140.38 11.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.64 122.42 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -101.28 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -140.11 120.07 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -165.93 105.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.89 167.34 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.53 -146.02 13.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.32 128.04 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.16 78.1 1.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.74 44.66 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' CYS . 6.8 mt -132.8 134.25 44.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 42.0 t -36.42 144.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -23.23 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.15 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.9 p -93.58 -52.67 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 96.94 38.25 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.86 -75.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 25' ' ' LEU . 6.8 t60 -163.03 -179.36 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 32.4 mt -148.11 162.6 39.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -118.6 -176.18 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.48 -44.93 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.17 25.33 8.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HD2' ' CE1' ' A' ' 37' ' ' PHE . 38.7 ptt180 -58.17 135.6 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' CD1' ' CG ' ' A' ' 40' ' ' ARG . 10.1 mp -101.05 99.06 9.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 p -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.527 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 90.6 t -126.74 106.54 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 61.72 29.98 18.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 -28.06 10.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.4 148.67 25.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 95.1 m-85 -112.97 145.59 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -145.81 163.2 35.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 21.4 m170 -79.12 143.55 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' CG ' ' CD1' ' A' ' 31' ' ' LEU . 75.0 mtt180 -62.88 -16.39 58.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.3 t -93.46 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.02 -50.9 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.91 99.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.9 mtt180 -139.79 176.46 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.83 164.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.595 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 32.4 t60 -101.16 -1.38 34.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 71' ' ' HIS . 13.5 m -120.51 -41.11 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.16 -3.56 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 39.6 mt-10 47.94 51.55 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.4 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -51.9 97.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.03 93.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.461 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.3 m95 -60.06 155.86 41.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.552 0.691 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.3 Cg_endo -69.84 14.29 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.02 30.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.455 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.31 47.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -158.17 168.95 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -156.16 151.09 26.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 20.5 tt0 -104.63 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.472 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 12.2 t-80 -70.5 120.94 81.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -30.55 21.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.51 -53.84 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.89 -49.45 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.98 40.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 86.4 m-70 -128.23 -177.16 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 88.9 m-85 -116.16 125.75 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.595 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 26.5 m-85 -132.48 159.73 38.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -72.34 171.43 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.98 13.49 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -124.17 -12.53 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 47' ' ' THR . 33.7 m170 -123.32 -17.74 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.79 114.53 6.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.74 -171.43 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -154.22 139.26 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.0 p -43.88 -23.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -85.0 78.52 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 t -140.23 146.25 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.43 162.22 25.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.4 Cg_endo -69.77 129.53 17.74 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.342 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 79' ' ' PRO . 2.2 m -34.54 128.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.5 t -107.63 132.7 53.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -170.84 137.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -170.97 152.3 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.38 128.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -163.34 167.74 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -163.58 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.69 156.63 27.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -164.01 122.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -137.63 176.59 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -144.4 153.74 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -88.96 139.89 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.6 123.38 24.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.97 -42.63 3.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.42 172.94 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.46 49.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.65 53.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.6 mt -137.33 134.1 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 49.8 t -37.37 143.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.66 -22.41 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.4 -54.34 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.5 p -99.18 -51.28 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 109.11 40.75 1.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -120.15 176.34 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.75 154.74 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 13.5 mt -121.12 152.65 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.77 -23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.97 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.1 -49.11 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -46.94 150.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 mp -125.42 103.32 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.2 p -67.25 93.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 86.3 t -121.46 103.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 63.61 26.27 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.47 -32.84 6.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -83.65 148.15 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 93.3 m-85 -109.61 142.58 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -138.6 145.14 40.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -67.14 138.56 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -50.67 -27.51 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 62.9 m -84.05 -55.18 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' ARG . 74.7 m -54.61 -53.91 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.15 92.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 89.5 mtt180 -143.86 170.38 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.0 t -58.44 165.1 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.7 t60 -102.35 -1.95 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.555 ' CG2' ' ND1' ' A' ' 71' ' ' HIS . 5.4 m -120.47 -36.09 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -119.45 -3.74 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 36.6 mt-10 48.45 51.42 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.33 131.65 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -41.43 100.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.92 98.81 2.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.454 ' C ' ' H ' ' A' ' 55' ' ' GLY . 9.9 m95 -64.39 154.84 82.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.528 0.68 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.76 13.27 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.705 2.27 . . . . 0.0 112.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.22 35.29 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.26 49.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CA ' HD22 ' A' ' 69' ' ' LEU . 5.6 p90 -158.32 160.71 37.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.4 159.33 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.5 tt0 -113.82 102.83 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.524 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.6 t-80 -59.47 122.41 64.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.12 21.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.58 -65.26 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.1 40.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 63.3 m-70 -122.37 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 33' ' ' VAL . 83.9 m-85 -119.59 120.09 35.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 15.4 m-85 -128.34 160.24 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.5 p -70.17 170.39 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 57' ' ' TYR . 24.7 mt -79.6 16.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -125.14 -20.39 4.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.555 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 35.7 m170 -113.14 -21.43 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tp -45.75 116.91 3.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.75 177.3 5.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -149.73 115.11 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 t -67.63 163.39 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.86 -47.43 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -113.66 137.34 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.03 63.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.8 Cg_endo -69.77 146.52 60.37 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 79' ' ' PRO . 21.4 m -35.51 122.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 177.32 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.463 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m 46.25 42.12 9.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -89.25 145.42 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.64 111.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -172.67 115.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -128.57 171.82 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.03 77.99 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -106.51 126.68 52.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -139.52 123.06 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -144.98 106.95 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -81.95 178.12 8.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.41 168.41 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.11 -145.79 20.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.32 139.41 49.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.52 -63.64 5.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 58.16 43.53 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' CYS . 13.8 mt -124.16 131.96 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' LEU . 26.1 t -31.2 122.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.577 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -81.85 12.92 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 42' ' ' CYS . 2.7 mt -112.66 -47.92 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -105.64 -47.99 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.7 33.22 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -108.5 -176.48 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.25 141.13 43.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.7 mt -101.57 167.33 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 51.0 t80 -136.6 167.82 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -48.8 -59.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -81.91 -36.36 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -82.22 59.82 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 26' ' ' TYR . 34.9 ptt180 -163.15 130.61 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 43' ' ' PHE . 7.6 mp -118.43 103.15 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.59 102.82 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.76 115.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 51.38 31.12 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.92 8.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.7 130.52 34.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.06 150.81 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' CB ' ' A' ' 19' ' ' ALA . 70.3 m-85 -146.3 152.2 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -67.46 166.75 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -79.02 -18.14 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -97.98 -46.16 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' HD13 ' A' ' 20' ' ' LEU . 94.5 m -62.68 -32.04 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CD2' HD22 ' A' ' 31' ' ' LEU . 38.1 t80 -74.32 96.71 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -151.4 174.97 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.54 162.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 26.2 t60 -102.16 -1.46 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.558 HG23 ' CE1' ' A' ' 71' ' ' HIS . 16.0 m -119.13 -37.24 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.79 -8.74 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 6.6 mm-40 56.27 46.11 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.82 51.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.3 m -39.35 113.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -80.81 95.88 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.447 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -67.61 155.95 90.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 12.55 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -147.08 35.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.24 47.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -158.27 160.68 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -150.42 151.39 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.2 tt0 -107.78 104.96 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 27.8 t-80 -56.7 120.37 36.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -27.44 26.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.74 -72.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -83.56 -51.01 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.62 46.68 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 48.6 m-70 -128.4 -176.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 86.5 m-85 -118.4 123.49 45.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 57.3 m-85 -134.01 161.85 33.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.78 171.51 13.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.0 mt -79.7 15.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.8 -12.18 5.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' HG23 ' A' ' 47' ' ' THR . 28.9 m170 -123.26 -18.4 6.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -48.23 118.41 6.58 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.571 0.701 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.76 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.28 129.82 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -91.23 172.41 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -107.07 42.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.7 p -120.08 -28.74 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.92 -86.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -17.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.7 p 43.18 41.97 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -61.12 -57.96 10.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -107.04 126.57 52.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -93.13 -56.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.07 -161.56 12.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -164.77 172.14 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -124.99 165.95 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.87 126.54 6.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -141.75 110.17 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -116.72 112.09 20.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.82 161.61 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -140.86 162.17 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 163.48 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.51 -104.72 2.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.41 157.81 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.36 46.6 0.97 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -118.0 76.87 1.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' CYS . 9.5 mt -134.55 131.44 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 31.1 t -34.42 143.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.588 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.47 9.62 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -106.57 -51.32 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -104.54 -37.97 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 42.58 3.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -119.08 174.73 6.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -58.23 148.74 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mt -116.14 138.86 50.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.72 153.35 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.2 p -59.18 -15.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.42 1.42 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -122.74 35.56 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -129.79 126.69 38.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 31' ' ' LEU . 9.8 mp -108.58 104.28 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.75 93.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 60.2 t -117.83 112.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 55.61 28.19 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.52 -32.23 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -84.59 140.24 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -96.43 147.49 23.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 67.1 m-85 -142.53 146.7 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 26.6 m170 -64.44 150.43 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -67.73 -8.36 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -109.26 -47.7 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.2 m -57.07 -42.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.95 104.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 93.8 mtt180 -145.24 170.83 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 t -54.56 164.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 31.9 t60 -103.17 0.68 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.564 ' CG2' ' ND1' ' A' ' 71' ' ' HIS . 7.0 m -122.08 -35.3 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.64 -5.18 9.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 29.2 mt-10 51.13 49.59 20.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.07 136.49 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.6 m -46.4 97.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 97.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -69.92 155.89 92.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.51 0.671 . . . . 0.0 110.972 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.393 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -146.49 29.77 1.59 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA2' ' CD1' ' A' ' 69' ' ' LEU . . . -172.17 50.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.23 153.19 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -153.31 154.61 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -103.88 135.87 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.58 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 32.5 t-80 -84.88 122.81 74.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.08 9.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.95 -70.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.52 -44.89 11.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.71 32.08 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 39.2 m-70 -116.14 172.28 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.589 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 67.3 m-85 -108.66 122.83 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 28.4 m-85 -128.57 163.94 23.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.4 p -74.33 169.85 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -78.19 12.86 1.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -123.14 -12.35 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.564 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 31.8 m170 -122.23 -20.49 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 4.7 tp -52.24 116.23 8.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.58 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.78 173.51 10.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -144.29 127.74 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 p -54.36 177.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -102.29 -55.48 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -127.92 43.63 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.39 135.93 12.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.73 2.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.389 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 m -74.63 156.74 36.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -132.94 163.2 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.497 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -170.03 154.07 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -164.06 142.03 7.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.5 110.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -145.42 106.45 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -162.86 121.57 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 118.76 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -172.97 155.53 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -160.88 134.94 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -167.81 136.07 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.56 108.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.34 78.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 151.0 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.5 44.11 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -132.3 37.27 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' CYS . 21.9 mt -127.26 134.73 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LEU . 35.4 t -29.99 119.98 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -80.53 12.86 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 4.5 mt -112.69 -48.06 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.38 -47.24 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.35 41.73 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.385 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.8 143.03 57.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 39' ' ' HIS . 64.4 mt -105.86 164.83 11.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -120.7 -176.52 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.17 -46.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.69 21.73 10.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -129.43 -34.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.49 134.77 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.666 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 4.5 mp -105.95 101.55 11.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -66.68 98.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 64.2 t -124.18 100.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 49.46 48.78 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 -33.05 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -80.6 132.27 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -109.29 143.49 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 7.7 m-85 -140.32 170.11 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD21 ' A' ' 25' ' ' LEU . 10.7 m170 -82.44 154.08 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' CD ' HD11 ' A' ' 31' ' ' LEU . 15.5 mmt85 -69.63 -16.99 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 84.5 p -97.95 -48.31 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.42 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.666 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 37.9 t80 -61.98 95.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 41' ' ' SER . 63.8 mtt180 -144.95 172.43 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 23.0 t -56.25 165.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 38.6 t60 -101.45 -3.2 29.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.569 HG23 ' CE1' ' A' ' 71' ' ' HIS . 10.8 m -119.46 -38.35 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.5 p -114.47 -4.92 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 42.6 mt-10 49.37 46.12 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.12 141.77 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.8 m -54.97 96.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.4 mt -66.16 93.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.42 154.04 94.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 76.97 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.59 26.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.8 40.11 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -153.47 171.07 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -160.46 157.03 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.7 tt0 -108.75 112.68 25.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.501 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.7 t-80 -63.44 128.85 93.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.05 26.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.36 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.97 -51.97 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.79 43.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 88.7 m-70 -127.12 -174.42 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 35.4 m-85 -119.87 124.72 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 12.4 m-85 -131.59 164.68 25.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 70' ' ' GLN . 30.9 p -73.41 168.05 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.22 15.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 68' ' ' CYS . 54.0 tp60 -123.85 -18.66 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 47' ' ' THR . 41.8 m170 -117.68 -18.64 9.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -49.47 116.06 5.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.75 -172.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.29 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -155.43 125.87 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.8 t -71.23 106.03 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 -54.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -56.57 168.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.96 125.83 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 148.79 66.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.0 m -43.39 166.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 t -40.77 -43.6 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.517 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t 63.85 43.43 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -60.3 145.22 48.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.29 152.62 17.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -132.79 176.74 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -84.92 143.27 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.56 -149.22 17.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 37.75 41.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' CD2' ' H ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -95.4 110.63 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 64.01 43.72 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.46 -45.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.76 116.34 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.19 -91.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 128.84 39.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.99 -108.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 60.97 38.14 17.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -126.06 136.62 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 9.6 t -40.47 162.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -99.84 -39.83 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' A' ' 42' ' ' CYS . 1.5 mp -53.92 -65.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.39 -51.79 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 108.63 42.59 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.8 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.54 150.05 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 39' ' ' HIS . 35.6 mt -121.31 162.84 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -113.71 159.66 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -61.82 -14.91 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -118.64 -53.9 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -51.73 -36.48 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -61.19 139.57 58.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.68 102.98 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.63 109.71 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.62 102.05 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 61.59 31.86 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.41 -37.33 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -75.81 169.68 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -130.65 147.36 52.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 16.8 m-85 -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CD2' HD21 ' A' ' 25' ' ' LEU . 39.5 m80 -72.44 154.63 40.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -59.8 -30.97 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 m -85.18 -52.05 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' CB ' HD22 ' A' ' 20' ' ' LEU . 4.6 m -52.37 -44.04 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -73.46 105.55 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -162.37 169.07 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 17.0 t -49.08 164.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.6 t60 -104.55 -4.11 23.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.57 HG21 ' CE1' ' A' ' 71' ' ' HIS . 12.7 m -116.08 -32.25 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 14.5 p -119.26 -9.06 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 90.6 mt-10 57.33 37.69 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.27 126.45 39.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.3 m -39.98 113.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.95 97.36 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.481 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.5 m95 -64.44 154.24 84.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.541 0.686 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 16.81 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -152.25 39.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.41 49.46 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.59 157.49 32.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -147.0 160.45 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.9 tt0 -108.86 110.13 21.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 31.8 t-80 -59.38 134.1 88.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.545 ' HD2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.74 -35.96 11.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.78 -95.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.69 -51.37 38.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.74 40.06 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 50.7 m-70 -123.93 -175.03 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 34.9 m-85 -108.58 119.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.4 m-85 -129.92 160.42 33.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -72.0 168.89 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.3 mt -79.95 17.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -124.23 -21.78 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' A' ' 47' ' ' THR . 35.3 m170 -113.29 -20.48 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 tp -47.53 113.37 2.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.68 177.11 5.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -155.09 106.56 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 76' ' ' ASP . 8.9 t -49.8 -41.83 45.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' THR . 5.5 m-20 -35.82 111.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -113.33 156.73 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.84 -65.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 140.29 42.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 m -107.22 95.06 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 t -64.32 123.59 19.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.48 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -172.97 164.76 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -119.99 -52.47 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.12 43.36 1.01 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -107.52 101.88 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -157.93 147.76 20.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.4 120.7 2.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -144.37 129.75 18.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -154.08 165.7 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -106.74 132.97 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -46.57 -56.32 6.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.79 79.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.44 42.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.29 -61.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.72 -33.39 4.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' C ' HD11 ' A' ' 25' ' ' LEU . 7.3 m-20 -78.7 47.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' CYS . 15.2 mt -130.72 133.6 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' LEU . 34.9 t -31.98 130.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -88.0 3.03 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -101.87 -49.37 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -105.26 -40.89 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.43 36.95 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.08 178.89 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -62.19 153.6 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 16' ' ' ASP . 16.9 mt -122.9 172.59 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -128.02 153.23 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.94 -16.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.5 -59.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ARG . 29.3 mt-10 -47.72 -56.06 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' HD3' ' CD2' ' A' ' 37' ' ' PHE . 3.9 ptp180 -34.19 136.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 43' ' ' PHE . 1.2 mt -107.22 96.27 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HA ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 m -66.75 89.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.76 112.88 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 61.13 30.8 19.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.93 -30.24 4.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 38' ' ' PHE . 99.0 m-70 -82.77 138.43 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' HD3' ' A' ' 30' ' ' ARG . 11.9 m-30 -106.45 134.19 49.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -134.63 161.04 36.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -75.67 142.31 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -58.65 -23.02 58.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.2 t -86.88 -46.08 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.82 -46.59 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' CB ' HD13 ' A' ' 31' ' ' LEU . 1.9 t80 -67.39 92.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 83.9 mtt180 -127.97 178.03 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.84 164.37 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.4 t60 -102.49 -0.09 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.572 ' CG2' ' CE1' ' A' ' 71' ' ' HIS . 6.8 m -120.82 -37.98 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.1 p -117.73 -5.56 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 51.72 47.49 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.74 146.58 24.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -55.0 100.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.45 99.5 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.49 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.2 m95 -71.46 156.26 91.71 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 16.2 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -148.82 34.2 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 69' ' ' LEU . . . -175.47 49.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -158.1 159.81 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -150.83 154.5 37.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 19.8 tt0 -109.86 110.3 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.486 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 16.8 t-80 -68.46 123.1 86.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.613 0.721 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.92 -51.9 3.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -99.07 -52.52 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.7 35.62 1.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 58.4 m-70 -125.33 179.76 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 70.4 m-85 -112.65 123.44 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 29.4 m-85 -129.34 162.83 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.92 172.1 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 28.0 mt -80.52 15.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -125.89 -11.24 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 47' ' ' THR . 29.9 m170 -123.97 -19.53 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.25 115.66 5.7 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.611 0.72 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.76 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -155.33 119.35 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.6 t -66.86 147.5 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.67 143.25 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 m -66.53 -58.79 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.17 174.17 17.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 156.25 63.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.0 p -72.57 123.71 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -129.52 87.57 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.477 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -155.37 122.71 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -133.05 155.25 49.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.15 134.68 3.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -119.46 123.58 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -89.26 139.57 30.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.57 89.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -105.77 142.09 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -79.46 177.36 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -131.36 165.01 24.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -94.28 167.38 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.18 154.21 31.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.41 144.63 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.48 163.74 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.341 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.68 45.83 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -118.99 44.78 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' CYS . 19.8 mt -129.92 132.47 46.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -36.79 153.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -80.2 -45.42 18.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 42' ' ' CYS . 3.0 mp -53.86 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 p -102.12 -48.65 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 81.52 53.99 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -92.04 -62.57 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -171.58 126.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' A' ' 39' ' ' HIS . 51.3 mt -102.68 146.11 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.6 t80 -114.94 152.82 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.45 -25.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.2 mt -108.55 -72.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LEU . 17.9 mt-10 -33.37 -37.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.6 ptp180 -61.03 132.66 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 30' ' ' ARG . 8.5 mp -117.39 99.61 7.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.19 113.77 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.576 HG12 ' CZ ' ' A' ' 66' ' ' PHE . 40.3 t -133.12 106.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 54.7 40.92 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.59 -35.48 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -87.17 132.89 33.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' CB ' HD12 ' A' ' 25' ' ' LEU . 37.2 m-85 -96.01 157.33 15.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 93.2 m-85 -146.12 154.03 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.542 ' CD2' HD23 ' A' ' 25' ' ' LEU . 11.6 m170 -70.36 139.24 51.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.92 -15.55 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.8 t -99.76 -48.64 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.479 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 65.2 m -56.73 -51.66 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 41' ' ' SER . 95.7 mtt180 -139.51 169.01 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.1 t -55.04 162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 30.7 t60 -100.15 0.17 40.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.567 ' CG2' ' CE1' ' A' ' 71' ' ' HIS . 13.8 m -122.74 -40.84 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.23 -5.78 14.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 17.9 mt-10 50.85 50.07 19.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.36 139.87 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 m -49.41 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.43 96.88 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.7 m95 -66.36 156.16 86.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 15.64 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.14 27.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.45 49.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -158.16 163.5 37.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -152.92 154.05 34.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.57 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 16.3 tt0 -108.04 111.6 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 t-80 -66.03 129.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.39 12.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -42.63 -82.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.65 -59.08 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.61 37.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.6 m-70 -123.71 -175.3 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CZ ' HG12 ' A' ' 33' ' ' VAL . 94.8 m-85 -114.33 123.91 50.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.0 m-85 -128.24 163.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 p -75.45 171.69 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.29 14.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -126.22 -8.38 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 47' ' ' THR . 25.8 m170 -126.76 -20.15 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 tp -49.73 114.82 4.48 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.4 Cg_endo -69.71 -177.16 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.379 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -159.09 120.52 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.5 p -38.92 157.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -141.17 144.2 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t 51.27 40.67 26.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.28 -135.68 1.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -19.02 36.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 m -126.65 170.08 12.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.9 m -97.37 136.04 38.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.477 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -141.51 128.0 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 4' ' ' GLY . 36.5 m -97.84 -44.78 6.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.62 70.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -107.45 103.96 13.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 7' ' ' GLY . 78.9 p -64.33 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' N ' ' HG ' ' A' ' 6' ' ' SER . . . 121.73 117.84 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -82.58 82.31 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -157.05 127.16 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -50.89 171.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.37 -55.73 5.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.74 165.92 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.32 -174.14 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.89 153.04 24.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.11 78.43 0.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.08 59.46 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.8 mt -140.74 137.99 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.663 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 6.0 t -40.53 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . -96.94 -41.14 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -54.64 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 104.05 41.07 2.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.86 174.45 5.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -58.45 145.17 39.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.526 HD22 ' CD2' ' A' ' 39' ' ' HIS . 45.8 mt -111.65 148.41 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -106.33 169.62 8.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.03 -20.06 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -117.82 15.16 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -126.65 -27.13 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -70.38 138.98 51.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 31' ' ' LEU . 10.1 mp -117.28 107.44 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.7 p -69.61 102.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 87.4 t -126.18 96.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.32 27.49 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.37 -35.47 4.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -79.49 151.51 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -111.22 139.65 46.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -134.59 151.06 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 35.1 m80 -74.04 134.26 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -43.1 -33.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.472 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 89.9 p -81.02 -58.07 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.5 m -47.03 -54.67 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -48.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' NE ' ' O ' ' A' ' 41' ' ' SER . 69.2 mtt-85 -142.62 170.77 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.86 164.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 34.6 t60 -103.43 2.79 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.557 ' CG2' ' ND1' ' A' ' 71' ' ' HIS . 10.7 m -123.37 -35.11 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.34 -5.41 9.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 16.4 mt-10 52.88 47.51 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.59 131.42 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.4 m -40.94 104.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.95 95.29 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.449 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.2 m95 -63.67 155.84 74.57 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.47 27.34 1.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.15 47.97 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -158.35 167.66 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -160.98 154.33 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.529 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.2 tt0 -106.35 105.78 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.7 t-80 -60.04 122.76 68.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -43.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.49 -55.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.5 -65.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.23 35.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.7 m-70 -121.54 173.56 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 96.4 m-85 -107.95 125.92 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 33.7 m-85 -134.98 163.94 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -75.09 169.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 36.4 mt -78.01 14.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -122.85 -19.72 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.557 ' ND1' ' CG2' ' A' ' 47' ' ' THR . 30.8 m170 -114.76 -20.06 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.4 tp -46.85 116.57 4.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.02 2.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -151.14 117.56 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.3 t -91.2 146.17 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -87.2 89.42 7.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.0 m -96.96 88.25 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.787 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.09 -161.7 11.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 111.71 2.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.284 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.5 m -85.34 -54.4 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.7 t 60.84 44.73 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -157.98 113.47 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -143.52 153.95 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.8 176.69 16.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -167.93 172.89 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -89.65 172.97 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.42 129.0 2.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.45 141.86 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' GLN . 4.0 p-80 -115.78 -43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' HIS . 14.5 mm100 -34.42 115.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.34 134.46 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.71 140.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -90.15 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.06 -44.57 4.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.05 33.62 1.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -115.58 47.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -129.71 138.64 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' N ' HD13 ' A' ' 25' ' ' LEU . 43.3 t -40.64 161.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -100.28 -36.98 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -63.36 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.44 -49.3 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.92 32.08 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -101.62 -177.67 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -66.44 144.05 56.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 mt -113.0 145.97 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -104.35 145.21 30.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -41.51 -27.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.88 -50.18 3.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.14 55.9 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -150.7 129.9 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 31' ' ' LEU . 10.9 mp -112.17 105.78 14.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.54 106.32 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 t -133.48 129.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.5 m120 47.4 25.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.09 -33.59 5.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.13 147.65 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 96.7 m-85 -102.39 150.69 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 7.2 m-85 -147.0 146.85 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.477 ' CD2' HD23 ' A' ' 25' ' ' LEU . 17.8 m170 -64.59 166.73 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -74.37 -18.96 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 t -99.35 -47.69 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 m -55.84 -37.54 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 16.5 t80 -73.47 101.24 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -159.54 167.87 27.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 14.1 t -47.37 163.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.3 t60 -104.41 -4.63 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 ' CE1' ' A' ' 71' ' ' HIS . 8.6 m -117.09 -30.66 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 18.9 p -120.53 -7.32 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 28.3 mt-10 55.81 29.71 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 125.09 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -39.76 114.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 92.4 mt -80.94 102.29 10.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.455 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.8 m95 -71.03 154.83 93.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 11.48 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.69 37.93 1.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.99 52.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -158.53 169.25 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -158.66 150.36 21.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.554 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 29.1 tt0 -102.46 116.67 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 30.3 t-80 -76.81 122.54 86.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.8 Cg_endo -69.71 -40.45 5.38 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -33.98 -51.61 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.9 -50.95 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.94 41.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 26.8 m-70 -127.81 -174.64 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 95.4 m-85 -118.75 123.15 44.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 9.7 m-85 -129.25 164.72 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.34 169.3 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -79.09 15.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -125.1 -16.39 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.535 ' CE1' HG23 ' A' ' 47' ' ' THR . 42.2 m170 -118.51 -19.92 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.99 113.93 2.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 74' ' ' GLN . 6.4 mm-40 -159.54 122.51 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 76' ' ' ASP . 2.1 t -93.92 115.44 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 34.08 45.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 t -112.33 44.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.74 -103.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.52 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.1 p -43.61 117.25 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -93.07 134.22 35.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -127.72 116.54 20.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -165.73 162.54 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.0 79.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -97.77 91.96 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -132.34 156.51 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 173.96 15.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CD ' ' OE1' ' A' ' 10' ' ' GLN . 39.1 tt0 -102.64 -40.65 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 70.05 45.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' OE1' ' CD ' ' A' ' 8' ' ' GLN . 10.1 pt20 -108.75 128.85 55.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -135.71 153.6 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.07 118.0 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.36 110.66 3.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.69 -42.42 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.82 0.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.08 36.06 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -127.69 137.33 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 19' ' ' ALA . 6.8 t -40.41 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . . . -95.29 -42.0 8.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -54.84 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -101.65 -49.19 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 87.06 51.15 3.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.32 -71.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -173.14 127.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' CB ' ' A' ' 37' ' ' PHE . 17.3 mt -101.34 146.16 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 40.5 t80 -119.66 173.28 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 45.8 t -57.34 -44.08 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 mt -105.74 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -134.98 7.42 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -110.75 129.49 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 31' ' ' LEU . 10.3 mp -108.0 99.73 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.91 111.04 4.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 58.0 t -130.13 106.56 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 54.37 36.31 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 -38.82 2.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -75.26 176.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CB ' ' CD1' ' A' ' 25' ' ' LEU . 91.4 m-85 -136.5 152.83 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 19' ' ' ALA . 36.3 m-85 -147.07 159.09 44.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 23.5 m80 -78.71 140.83 38.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -50.65 -27.67 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -86.52 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.1 m -47.27 -52.85 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 5.0 t80 -49.23 96.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 65.1 mtt180 -135.53 166.59 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.61 162.65 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.6 t60 -99.06 1.65 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.558 HG22 ' CE1' ' A' ' 71' ' ' HIS . 14.5 m -123.19 -43.29 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.89 -5.87 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 63.0 mt-10 50.79 51.55 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.5 133.24 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.3 m -43.55 102.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 75.0 mt -70.81 94.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.479 ' C ' ' H ' ' A' ' 55' ' ' GLY . 29.9 m95 -60.96 154.85 57.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 0.0 110.968 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 17.12 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -153.75 30.68 0.75 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.57 49.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.31 162.43 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -158.64 160.68 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -109.28 137.43 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 24.4 t-80 -91.59 126.58 53.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -30.93 21.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.23 13.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.33 -56.87 3.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.58 25.52 3.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 96.1 m-70 -118.9 176.83 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.663 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 71.3 m-85 -109.0 125.14 51.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 31.3 m-85 -129.45 163.86 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.94 170.92 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -79.23 15.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -126.96 -11.89 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.4 m170 -123.72 -19.53 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.01 116.6 8.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.636 0.731 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.79 -170.59 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.38 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -148.71 112.66 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p 38.85 45.55 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.59 90.03 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -45.85 136.21 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.42 140.88 12.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 105.89 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 t -111.53 116.56 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -124.76 107.9 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.51 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -84.68 -51.77 6.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -59.56 106.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.69 -159.16 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -164.04 124.61 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -107.3 104.9 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.54 92.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -118.78 88.2 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -77.28 100.25 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.8 mm-40 -108.71 159.51 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 31.9 tt0 -35.35 141.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.25 -52.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.3 -74.02 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.89 81.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 97.28 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -126.21 47.82 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' CYS . 14.9 mt -125.88 137.08 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' LEU . 47.8 t -32.06 126.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.635 ' CB ' ' CE2' ' A' ' 38' ' ' PHE . . . -84.98 18.08 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 42' ' ' CYS . 7.7 mt -119.74 -48.46 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.22 -48.46 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.96 42.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -121.21 173.49 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -61.76 147.73 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 39' ' ' HIS . 39.5 mt -112.95 149.0 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -103.65 -178.14 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.08 -53.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.85 27.67 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -134.69 -37.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -61.52 131.73 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -106.52 100.48 10.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.16 101.99 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.58 103.68 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 59.91 34.63 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.05 -33.6 4.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -84.39 136.0 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 74.6 m-85 -99.86 150.81 21.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.635 ' CE2' ' CB ' ' A' ' 19' ' ' ALA . 13.9 m-85 -146.97 163.98 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CD2' HD22 ' A' ' 25' ' ' LEU . 22.1 m170 -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -78.28 -7.51 57.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 13.6 t -107.27 -45.77 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ARG . 68.9 m -61.2 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.45 84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' CYS . 84.0 mtt180 -130.69 173.96 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 t -57.58 164.67 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 53.5 t60 -100.65 -4.2 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.574 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.8 m -119.84 -39.55 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -113.62 -4.95 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 48.1 46.74 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 133.47 40.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 m -42.62 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.71 93.85 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.481 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -66.04 157.12 82.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 15.55 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.29 35.03 1.07 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.55 49.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -158.5 168.33 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' CB ' HD21 ' A' ' 72' ' ' LEU . 3.7 mm-40 -152.44 153.89 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 32.2 tt0 -111.96 103.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 22.8 t-80 -60.83 126.5 85.62 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.56 0.695 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.75 -43.3 2.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.03 -68.26 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.01 -56.2 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.52 36.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.4 m-70 -121.3 -175.84 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 87.7 m-85 -116.46 124.62 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 23.8 m-85 -131.28 162.26 30.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.9 p -74.53 170.94 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.76 16.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -126.78 -13.86 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.574 ' CE1' HG22 ' A' ' 47' ' ' THR . 32.5 m170 -121.87 -18.41 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 58' ' ' GLU . 6.2 tp -51.38 117.99 10.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.81 179.75 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -155.81 131.01 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 t -105.03 38.54 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -133.88 -38.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.6 t -125.25 126.79 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.19 119.01 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.6 p -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p -47.94 -49.03 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.467 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 24' ' ' HIS . 1.3 mt -133.29 135.62 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 40.6 t -41.01 162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.92 -36.68 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.2 mp -56.18 -59.9 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 p -98.96 -52.83 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.26 37.14 2.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -104.14 177.8 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HA ' HD23 ' A' ' 17' ' ' LEU . 15.3 t-80 -64.45 146.2 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' A' ' 37' ' ' PHE . 22.5 mt -116.12 146.37 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.99 172.24 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG23 ' HG ' ' A' ' 28' ' ' LEU . 17.2 m -77.34 -20.45 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.696 ' HG ' HG23 ' A' ' 27' ' ' VAL . 15.6 mt -118.51 13.18 13.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -124.7 -22.97 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 -74.52 143.98 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.22 104.77 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.9 p -69.2 96.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 96.2 t -123.42 101.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' HG12 ' A' ' 33' ' ' VAL . 6.7 m120 62.6 30.51 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.51 -31.21 7.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -83.61 147.37 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' A' ' 25' ' ' LEU . 68.2 m-85 -107.07 144.69 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 44.1 m-85 -139.62 154.06 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 37.6 m80 -75.82 140.65 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -50.71 -28.73 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 39.6 m -84.91 -53.04 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.757 ' HB3' HD22 ' A' ' 20' ' ' LEU . 5.3 m -50.93 -56.77 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.97 101.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 73.8 mtt180 -148.97 173.18 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 20.1 t -63.06 166.76 5.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 7.5 t-80 -101.89 -7.15 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.9 m -118.98 -30.56 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 30.6 p -123.22 0.16 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 14.8 pt-20 40.32 44.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.28 130.94 41.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -41.22 103.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.35 95.06 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -66.97 154.22 92.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 79.62 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.46 -7.37 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.71 43.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -157.58 166.62 32.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.85 148.1 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.9 tt0 -103.57 96.73 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 33.4 t-80 -48.14 133.89 12.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.21 -89.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -61.14 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 49.3 m-70 -114.24 -174.32 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 98.0 m-85 -116.26 122.05 43.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.6 m-85 -131.22 158.14 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -69.45 170.65 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.93 13.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.55 -14.39 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 40.4 m170 -121.82 -17.54 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -51.19 117.06 8.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.73 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.2 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.1 mt -132.26 136.91 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.2 t -35.69 150.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.836 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.75 -26.12 15.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' ' 38' ' ' PHE . 2.9 mm? -71.68 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -92.28 -50.63 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.6 36.27 2.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -109.28 176.74 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.92 149.35 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 72.0 mt -113.68 147.85 37.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.544 ' CE1' HG22 ' A' ' 27' ' ' VAL . 17.3 t80 -109.97 155.66 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 26' ' ' TYR . 16.2 m -47.46 -23.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HG23 ' A' ' 27' ' ' VAL . 54.0 mt -108.67 -42.97 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.05 48.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' NH1' ' SG ' ' A' ' 32' ' ' CYS . 25.9 ptt85 -146.31 133.2 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CD ' ' A' ' 40' ' ' ARG . 8.6 mp -115.79 104.86 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' SG ' ' NH1' ' A' ' 30' ' ' ARG . 1.9 m -67.4 98.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 93.5 t -123.67 99.76 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 54.81 38.75 30.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.67 -38.12 3.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -76.87 138.29 39.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.49 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 71.1 m-85 -110.61 146.53 35.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.836 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -141.76 164.24 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -76.51 148.49 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.55 ' CD ' HD11 ' A' ' 31' ' ' LEU . 24.5 mmm-85 -65.37 -12.78 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.509 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.7 m -99.54 -50.13 4.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.4 m -58.92 -50.63 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -50.99 103.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 41' ' ' SER . 91.3 mtt-85 -150.76 171.06 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.5 t -56.03 162.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.2 t-80 -99.03 -0.57 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 9.2 m -122.27 -42.64 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.99 -4.6 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 44.9 mt-10 48.63 53.0 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.78 136.36 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 m -45.11 104.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.88 94.83 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.59 154.69 92.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 79.66 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.19 -15.91 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.675 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -119.06 44.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -158.25 164.6 36.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 72' ' ' LEU . 3.5 mm-40 -151.5 148.96 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 33.8 tt0 -104.97 102.78 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 40.4 t60 -54.65 132.82 64.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.79 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.7 -91.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.15 -58.38 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.98 44.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 75.6 m-70 -125.93 -178.99 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 96.4 m-85 -113.36 122.99 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 30.0 m-85 -130.92 161.93 30.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.45 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.675 HD11 ' HA2' ' A' ' 56' ' ' GLY . 11.1 mt -77.86 12.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -124.66 -10.07 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.4 m170 -126.2 -17.38 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -54.03 118.43 15.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.74 -178.16 2.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 t70 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 16' ' ' ASP . 5.9 mt -129.91 130.6 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' LEU . 37.6 t -33.19 147.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -91.86 -21.73 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.94 -66.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -79.74 -49.68 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.8 37.02 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -111.42 -178.89 3.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.99 153.44 33.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 39' ' ' HIS . 34.9 mt -123.49 158.89 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -113.55 153.3 29.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.81 -34.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -95.19 -59.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ARG . 48.8 mt-10 -45.03 -58.42 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HA ' HD22 ' A' ' 25' ' ' LEU . 28.2 ptt180 -36.92 131.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' PHE . 2.3 tp -104.63 101.37 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.7 p -67.7 103.7 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 73.7 t -132.87 105.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 61.31 29.25 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.1 -34.43 5.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 m-70 -77.08 158.94 30.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CB ' HD13 ' A' ' 25' ' ' LEU . 98.5 m-85 -120.95 140.33 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.806 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -145.66 161.52 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CD2' HD23 ' A' ' 25' ' ' LEU . 29.9 m170 -76.77 122.72 25.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -39.13 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 4.5 t -86.13 -52.58 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 m -52.68 -56.52 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.05 101.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 41' ' ' SER . 74.6 mtt180 -141.54 -179.63 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 16.8 t -62.74 167.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 7.7 t-80 -103.47 -7.89 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.3 m -117.88 -28.61 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.446 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.0 p -126.35 -0.17 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 48' ' ' CYS . 11.1 pt-20 41.92 45.34 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.69 130.05 42.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 m -39.97 98.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.94 97.08 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 8.7 m95 -62.45 155.36 68.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.708 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 8.51 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.93 26.52 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.19 48.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 53' ' ' TRP . 3.3 p90 -158.03 170.15 22.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 72' ' ' LEU . 23.7 mt-10 -154.58 141.3 19.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 23.7 tt0 -98.39 110.8 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 34.0 t-80 -65.82 126.17 91.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.31 24.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.8 -76.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -79.4 -58.62 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.42 38.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 25.7 m-70 -122.19 -173.88 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 84.0 m-85 -119.38 124.81 47.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 12.1 m-85 -130.93 159.72 36.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.4 171.48 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 15.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -127.18 -9.69 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CE1' HG22 ' A' ' 47' ' ' THR . 37.5 m170 -125.37 -19.76 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.1 tp -48.95 118.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.56 3.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.7 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' CYS . 2.0 mt -126.42 134.32 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LEU . 54.1 t -37.3 154.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.27 -29.1 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . 3.9 mm? -65.67 -54.43 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.22 -50.43 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 106.35 42.1 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -116.59 -177.35 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -61.62 157.48 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 37' ' ' PHE . 69.2 mt -124.96 144.25 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -118.32 171.36 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.8 -61.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.42 5.51 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -130.1 55.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -162.9 133.09 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 40' ' ' ARG . 8.1 mp -114.17 105.48 13.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.75 91.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.445 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 49.0 t -121.17 120.32 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.1 36.57 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.86 5.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 43.5 m-70 -80.76 146.22 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' HD13 ' A' ' 25' ' ' LEU . 79.7 m-85 -113.34 145.51 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.749 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -146.67 160.75 41.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -72.71 150.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 31' ' ' LEU . 40.7 mtp180 -64.49 -15.89 61.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 m -98.93 -49.93 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 81.4 m -55.12 -48.41 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 48.7 t80 -56.38 102.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 60.4 mtt180 -147.12 171.81 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.8 t -51.82 164.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 42.0 t-80 -102.61 -0.94 31.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.2 m -121.74 -32.55 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.98 -7.95 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 9.1 mp0 52.63 50.59 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.11 137.64 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -47.45 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 89.9 mt -69.33 89.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -58.76 154.0 38.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 82.25 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -1.23 2.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.08 44.33 1.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -158.08 173.66 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -157.76 150.72 23.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.4 tt0 -106.8 104.16 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.546 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.2 t-80 -58.91 127.42 83.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.42 18.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.91 -78.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.76 -53.24 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.21 39.57 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 3.9 m80 -126.42 -174.87 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 73.8 m-85 -116.93 126.42 52.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 19.7 m-85 -132.62 164.79 25.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.8 p -76.72 170.16 16.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.13 12.08 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -122.43 -10.5 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.7 m170 -125.23 -19.24 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.6 117.65 9.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 52.9 Cg_endo -69.81 -180.0 3.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 16' ' ' ASP . 18.8 mt -134.45 135.64 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 29.2 t -38.67 156.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.42 -39.37 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 42' ' ' CYS . 1.2 mp -58.4 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -106.65 -50.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 88.13 50.05 3.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -88.49 -70.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -169.68 128.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 30' ' ' ARG . 20.3 mt -103.49 158.77 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -130.18 168.49 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.32 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.41 8.45 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -123.21 -44.36 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HA ' HD22 ' A' ' 25' ' ' LEU . 13.5 ptp180 -46.69 144.57 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.92 98.02 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.56 116.16 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG12 ' OD1' ' A' ' 34' ' ' ASN . 39.4 t -133.38 96.72 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.593 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m120 67.31 33.25 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.79 -37.84 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.58 174.49 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' A' ' 25' ' ' LEU . 93.9 m-85 -130.1 148.1 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.846 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 4.4 m-85 -145.74 165.47 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 27.9 m170 -80.12 121.94 26.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' HIS . 11.2 mmm-85 -38.18 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.4 m -88.6 -56.54 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.638 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.0 m -47.14 -47.92 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.27 102.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -147.43 175.51 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.95 165.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 24.5 t-80 -103.4 -0.17 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.9 m -120.72 -35.2 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.8 p -120.83 -4.51 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 50.45 49.83 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 137.88 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -46.16 100.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.1 mt -72.8 97.31 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.4 m95 -66.95 155.28 90.47 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.72 30.93 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -164.76 44.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -158.38 167.12 30.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -154.22 150.52 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 37.6 tt0 -101.64 107.25 18.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 15.0 t-80 -64.48 124.34 85.61 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.95 11.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -38.14 -67.47 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -91.53 -45.35 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.32 1.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 91.0 m-70 -123.39 -175.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 63.2 m-85 -114.76 125.33 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 35.8 m-85 -135.18 160.34 38.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.93 172.42 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.21 13.92 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.01 -10.39 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 34.9 m170 -124.85 -19.65 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.03 115.4 4.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.9 Cg_endo -69.79 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.1 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.01 136.24 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.8 t -43.17 152.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.51 -26.97 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.7 mm? -63.25 -53.94 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.55 -52.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.64 33.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.13 173.38 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.51 144.61 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 39' ' ' HIS . 18.2 mt -110.35 157.74 19.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 77.1 t80 -125.94 167.92 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 38.7 t -43.12 -61.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.71 -29.55 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -88.98 57.05 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -162.84 125.6 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 40' ' ' ARG . 5.0 mp -108.03 97.88 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.26 95.4 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.09 124.73 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 49.39 30.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.82 -28.37 7.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -86.62 140.25 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 25' ' ' LEU . 13.3 m-85 -103.07 147.48 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.764 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 5.0 m-85 -146.94 156.76 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 38.6 m80 -71.96 154.14 41.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HA ' HD11 ' A' ' 31' ' ' LEU . 17.9 mmt180 -69.15 -21.41 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.503 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.0 p -93.8 -40.5 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 73.7 m -63.83 -53.28 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.8 96.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' NE ' ' O ' ' A' ' 41' ' ' SER . 84.8 mtt180 -139.51 172.75 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 49' ' ' GLU . 19.4 t -54.99 165.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.7 t-80 -103.52 -3.76 24.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.0 m -119.46 -32.51 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.17 -6.73 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 5.5 mp0 50.5 51.2 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.33 134.24 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -41.58 102.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.47 98.39 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -68.14 155.84 91.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 7.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.63 38.03 1.48 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -177.07 49.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.11 162.75 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.377 . . . . 0.0 110.926 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' O ' HD13 ' A' ' 72' ' ' LEU . 26.8 mt-10 -153.38 145.62 23.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 13.7 tt0 -102.11 107.98 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 17.1 t-80 -59.91 130.88 88.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -19.93 35.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.16 -98.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -42.36 79.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.48 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 87.5 m-70 -126.76 -179.7 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 59' ' ' GLN . 88.8 m-85 -110.52 122.88 48.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.6 m-85 -127.39 163.82 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -74.83 172.7 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 56' ' ' GLY . 27.4 mt -82.06 16.34 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -127.25 -10.0 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.5 m170 -124.04 -21.3 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -49.16 115.25 4.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.78 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.8 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' CYS . 3.4 mt -133.29 134.17 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.8 t -34.35 147.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -90.92 -24.56 20.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.8 mp -73.7 -69.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -80.43 -51.37 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.19 42.96 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.29 175.4 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.448 ' HA ' HD23 ' A' ' 17' ' ' LEU . 14.6 t-80 -54.22 160.42 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 37' ' ' PHE . 50.3 mt -129.29 141.87 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -91.81 171.9 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.92 -1.26 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -123.95 -37.78 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 31.9 mt-10 -71.93 -52.11 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' GLU . 25.2 ptt180 -37.16 134.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -109.89 95.4 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.63 92.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.5 t -133.22 115.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.82 25.61 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.3 -29.35 8.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.2 m-70 -81.64 153.73 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.799 ' HB3' HD13 ' A' ' 25' ' ' LEU . 51.1 m-85 -116.48 132.18 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 2.4 m-85 -132.14 162.68 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.3 m170 -79.1 142.45 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' A' ' 31' ' ' LEU . 18.7 mmt180 -61.7 -10.05 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -104.07 -36.45 7.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.862 ' HB3' HD22 ' A' ' 20' ' ' LEU . 10.3 m -68.6 -55.02 12.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.94 95.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 97.8 mtt180 -138.32 173.66 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.83 165.83 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 13.5 t-80 -103.3 -4.42 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.649 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.7 m -119.99 -28.77 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.4 p -127.01 -2.39 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 10.4 pt-20 44.92 51.06 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.05 130.6 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 44' ' ' ARG . 39.6 m -38.96 101.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.75 106.79 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -79.7 155.48 75.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 6.96 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.91 29.79 2.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.2 49.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -158.24 166.15 33.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -161.15 154.43 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 53.1 tt0 -100.11 124.17 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.535 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 19.1 t-80 -77.43 125.37 86.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.52 36.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.82 -82.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.52 -42.43 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 73.0 m-70 -118.9 -177.47 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 80.9 m-85 -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 13.0 m-85 -129.11 159.31 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.71 169.97 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.436 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.06 15.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.2 -11.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.0 m170 -122.41 -21.52 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.63 112.09 1.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.2 Cg_endo -69.81 175.63 7.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.554 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.5 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.12 134.13 50.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 25.6 t -39.5 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -94.9 -38.41 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.1 mp -57.71 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -79.11 -51.94 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 105.56 36.47 2.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -108.14 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -57.55 153.09 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 37' ' ' PHE . 14.8 mt -117.63 175.74 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -133.89 179.45 6.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -76.31 -54.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.92 26.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -133.99 -51.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 25' ' ' LEU . 12.9 ptt180 -45.75 144.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -114.3 97.77 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.77 89.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.62 130.97 56.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 48.37 44.1 19.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.31 21.9 62.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -129.0 159.72 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.729 ' HB3' HD13 ' A' ' 25' ' ' LEU . 71.3 m-85 -117.71 129.38 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.759 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 27.0 m-85 -130.77 161.14 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 32.8 m80 -81.78 131.56 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 31' ' ' LEU . 31.7 mmm-85 -50.33 -17.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -93.86 -45.91 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.758 ' HB3' HD22 ' A' ' 20' ' ' LEU . 4.2 m -59.72 -55.32 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.43 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 82.4 mtt180 -136.75 169.78 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.19 166.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 19.0 t-80 -103.03 -5.49 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.2 m -120.23 -28.78 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.4 p -125.07 -1.54 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 11.8 pt-20 43.57 45.23 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 131.91 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.6 m -40.93 102.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.38 100.92 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 3.4 m95 -70.45 155.39 93.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.516 0.674 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.8 7.47 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.87 34.4 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.74 49.07 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.427 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.36 164.19 36.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 72' ' ' LEU . 56.7 mt-10 -155.5 146.17 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 43.8 tt0 -99.49 113.15 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -68.81 124.8 91.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -42.48 3.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.89 -60.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.33 -54.83 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 30.6 m-70 -116.86 178.23 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 74.4 m-85 -114.12 121.68 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.3 m-85 -129.21 161.54 29.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.0 p -72.05 169.15 16.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 56' ' ' GLY . 15.8 mt -78.01 15.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -124.12 -18.33 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 38.3 m170 -118.12 -18.79 9.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 58' ' ' GLU . 5.9 tp -50.89 114.56 4.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -173.67 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' CYS . 6.8 mt -132.8 134.25 44.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 42.0 t -36.42 144.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -92.25 -23.23 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.2 mm? -74.15 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.9 p -93.58 -52.67 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 96.94 38.25 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.86 -75.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 7.1 t-80 -163.03 -179.36 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.759 HD13 ' CB ' ' A' ' 37' ' ' PHE . 32.4 mt -148.11 162.6 39.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -118.6 -176.18 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.48 -44.93 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.17 25.33 8.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -58.17 135.6 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.1 mp -101.05 99.06 9.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 p -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 90.6 t -126.74 106.54 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 61.72 29.98 18.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 -28.06 10.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.4 148.67 25.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.759 ' CB ' HD13 ' A' ' 25' ' ' LEU . 95.1 m-85 -112.97 145.59 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -145.81 163.2 35.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 21.4 m170 -79.12 143.55 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.847 ' HG2' HD11 ' A' ' 31' ' ' LEU . 75.0 mtt180 -62.88 -16.39 58.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.3 t -93.46 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.02 -50.9 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.91 99.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.9 mtt180 -139.79 176.46 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.83 164.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.0 t-80 -101.16 -1.38 34.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.5 m -120.51 -41.11 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.16 -3.56 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 39.6 mt-10 47.94 51.55 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.4 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -51.9 97.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.03 93.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 7.3 m95 -60.06 155.86 41.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.552 0.691 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.3 Cg_endo -69.84 14.29 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.02 30.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.455 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.31 47.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -158.17 168.95 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -156.16 151.09 26.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 20.5 tt0 -104.63 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 12.2 t-80 -70.5 120.94 81.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -30.55 21.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.51 -53.84 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.89 -49.45 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.98 40.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 86.4 m-70 -128.23 -177.16 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 88.9 m-85 -116.16 125.75 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 26.5 m-85 -132.48 159.73 38.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.6 p -72.34 171.43 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.98 13.49 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -124.17 -12.53 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 47' ' ' THR . 33.7 m170 -123.32 -17.74 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.3 tp -53.79 114.53 6.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.74 -171.43 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.6 mt -137.33 134.1 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 49.8 t -37.37 143.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . . . -92.66 -22.41 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 38' ' ' PHE . 3.6 mm? -71.4 -54.34 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.5 p -99.18 -51.28 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 109.11 40.75 1.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -120.15 176.34 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.75 154.74 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.671 HD13 ' CB ' ' A' ' 37' ' ' PHE . 13.5 mt -121.12 152.65 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.77 -23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.97 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.7 mm-40 -44.1 -49.11 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 25' ' ' LEU . 8.8 ptm180 -46.94 150.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 29' ' ' GLU . 5.3 mp -125.42 103.32 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.2 p -67.25 93.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -121.46 103.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 63.61 26.27 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.47 -32.84 6.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -83.65 148.15 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.671 ' CB ' HD13 ' A' ' 25' ' ' LEU . 93.3 m-85 -109.61 142.58 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.73 ' HE1' ' HB3' ' A' ' 19' ' ' ALA . 47.8 m-85 -138.6 145.14 40.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.485 ' CD2' HD23 ' A' ' 25' ' ' LEU . 24.2 m170 -67.14 138.56 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HG2' HD11 ' A' ' 31' ' ' LEU . 7.2 mmm180 -50.67 -27.51 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 62.9 m -84.05 -55.18 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' ARG . 74.7 m -54.61 -53.91 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.15 92.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 89.5 mtt180 -143.86 170.38 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.0 t -58.44 165.1 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 23.3 t-80 -102.35 -1.95 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.599 HG22 ' CE1' ' A' ' 71' ' ' HIS . 5.4 m -120.47 -36.09 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -119.45 -3.74 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 36.6 mt-10 48.45 51.42 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.33 131.65 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -41.43 100.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.92 98.81 2.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.419 ' C ' ' H ' ' A' ' 55' ' ' GLY . 9.9 m95 -64.39 154.84 82.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.528 0.68 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.76 13.27 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.705 2.27 . . . . 0.0 112.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.22 35.29 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.26 49.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.32 160.71 37.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.934 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.4 159.33 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.5 tt0 -113.82 102.83 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.6 t-80 -59.47 122.41 64.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.12 21.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.58 -65.26 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.1 40.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 63.3 m-70 -122.37 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 83.9 m-85 -119.59 120.09 35.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 15.4 m-85 -128.34 160.24 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.5 p -70.17 170.39 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.7 mt -79.6 16.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -125.14 -20.39 4.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.7 m170 -113.14 -21.43 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -45.75 116.91 3.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.75 177.3 5.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' CYS . 13.8 mt -124.16 131.96 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' LEU . 26.1 t -31.2 122.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.0 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -81.85 12.92 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 38' ' ' PHE . 2.7 mt -112.66 -47.92 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -105.64 -47.99 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.7 33.22 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -108.5 -176.48 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.25 141.13 43.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 47.7 mt -101.57 167.33 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -136.6 167.82 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -48.8 -59.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -81.91 -36.36 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -82.22 59.82 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -163.15 130.61 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 43' ' ' PHE . 7.6 mp -118.43 103.15 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.59 102.82 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.76 115.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 51.38 31.12 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.92 8.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.7 130.52 34.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.06 150.81 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 1.0 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 70.3 m-85 -146.3 152.2 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 15.2 m170 -67.46 166.75 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -79.02 -18.14 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -97.98 -46.16 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 20' ' ' LEU . 94.5 m -62.68 -32.04 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CD2' HD22 ' A' ' 31' ' ' LEU . 38.1 t80 -74.32 96.71 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -151.4 174.97 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.54 162.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 21.5 t-80 -102.16 -1.46 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 16.0 m -119.13 -37.24 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.79 -8.74 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 6.6 mm-40 56.27 46.11 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.82 51.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.3 m -39.35 113.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 57' ' ' TYR . 87.7 mt -80.81 95.88 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -67.61 155.95 90.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.2 Cg_endo -69.69 12.55 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -147.08 35.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.24 47.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.468 ' HB2' HD22 ' A' ' 52' ' ' LEU . 3.4 p90 -158.27 160.68 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -150.42 151.39 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.2 tt0 -107.78 104.96 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 27.8 t-80 -56.7 120.37 36.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -27.44 26.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.74 -72.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -83.56 -51.01 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.62 46.68 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 48.6 m-70 -128.4 -176.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 86.5 m-85 -118.4 123.49 45.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 57.3 m-85 -134.01 161.85 33.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 27.4 p -73.78 171.51 13.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA2' ' A' ' 56' ' ' GLY . 34.0 mt -79.7 15.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.8 -12.18 5.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.9 m170 -123.26 -18.4 6.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -48.23 118.41 6.58 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.571 0.701 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.76 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 m-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 16' ' ' ASP . 9.5 mt -134.55 131.44 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 31.1 t -34.42 143.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.47 9.62 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 42' ' ' CYS . 3.8 mt -106.57 -51.32 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -104.54 -37.97 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 42.58 3.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -119.08 174.73 6.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -58.23 148.74 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 39' ' ' HIS . 10.7 mt -116.14 138.86 50.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.72 153.35 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 27' ' ' VAL . 4.2 p -59.18 -15.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.42 1.42 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -122.74 35.56 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -129.79 126.69 38.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 40' ' ' ARG . 9.8 mp -108.58 104.28 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.75 93.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 60.2 t -117.83 112.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 55.61 28.19 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.52 -32.23 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -84.59 140.24 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -96.43 147.49 23.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 67.1 m-85 -142.53 146.7 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 26.6 m170 -64.44 150.43 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HG2' HD11 ' A' ' 31' ' ' LEU . 19.5 mtp180 -67.73 -8.36 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -109.26 -47.7 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.767 ' HB3' HD13 ' A' ' 20' ' ' LEU . 83.2 m -57.07 -42.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.95 104.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 93.8 mtt180 -145.24 170.83 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 t -54.56 164.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 37.8 t-80 -103.17 0.68 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.621 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.0 m -122.08 -35.3 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.64 -5.18 9.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 29.2 mt-10 51.13 49.59 20.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.07 136.49 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.6 m -46.4 97.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 97.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -69.92 155.89 92.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.51 0.671 . . . . 0.0 110.972 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.393 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -146.49 29.77 1.59 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.521 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.17 50.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.23 153.19 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' HD13 ' A' ' 72' ' ' LEU . 10.1 mm-40 -153.31 154.61 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -103.88 135.87 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 32.5 t-80 -84.88 122.81 74.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.08 9.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.95 -70.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.52 -44.89 11.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.71 32.08 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 39.2 m-70 -116.14 172.28 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.589 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 67.3 m-85 -108.66 122.83 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 28.4 m-85 -128.57 163.94 23.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.4 p -74.33 169.85 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 HD11 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -78.19 12.86 1.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -123.14 -12.35 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.621 ' CE1' HG22 ' A' ' 47' ' ' THR . 31.8 m170 -122.23 -20.49 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 58' ' ' GLU . 4.7 tp -52.24 116.23 8.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.78 173.51 10.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.897 0.38 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' CYS . 21.9 mt -127.26 134.73 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LEU . 35.4 t -29.99 119.98 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.796 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.53 12.86 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 4.5 mt -112.69 -48.06 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.38 -47.24 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.35 41.73 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.385 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.8 143.03 57.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 39' ' ' HIS . 64.4 mt -105.86 164.83 11.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -120.7 -176.52 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.17 -46.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.69 21.73 10.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -129.43 -34.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.49 134.77 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' CD2' ' A' ' 43' ' ' PHE . 4.5 mp -105.95 101.55 11.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -66.68 98.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 64.2 t -124.18 100.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 49.46 48.78 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 -33.05 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -80.6 132.27 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -109.29 143.49 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.796 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.7 m-85 -140.32 170.11 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CD2' HD23 ' A' ' 25' ' ' LEU . 10.7 m170 -82.44 154.08 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' CD ' HD11 ' A' ' 31' ' ' LEU . 15.5 mmt85 -69.63 -16.99 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 84.5 p -97.95 -48.31 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.42 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.673 ' CD2' HD22 ' A' ' 31' ' ' LEU . 37.9 t80 -61.98 95.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 41' ' ' SER . 63.8 mtt180 -144.95 172.43 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 23.0 t -56.25 165.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 25.7 t-80 -101.45 -3.2 29.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.8 m -119.46 -38.35 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.5 p -114.47 -4.92 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 42.6 mt-10 49.37 46.12 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.12 141.77 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.8 m -54.97 96.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 69.4 mt -66.16 93.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.42 154.04 94.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 76.97 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.59 26.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.8 40.11 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -153.47 171.07 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -160.46 157.03 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.7 tt0 -108.75 112.68 25.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.7 t-80 -63.44 128.85 93.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.05 26.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.36 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.97 -51.97 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.79 43.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 88.7 m-70 -127.12 -174.42 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 35.4 m-85 -119.87 124.72 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 12.4 m-85 -131.59 164.68 25.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 30.9 p -73.41 168.05 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.22 15.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -123.85 -18.66 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 47' ' ' THR . 41.8 m170 -117.68 -18.64 9.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -49.47 116.06 5.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.75 -172.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.29 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -126.06 136.62 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 9.6 t -40.47 162.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.78 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -99.84 -39.83 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 42' ' ' CYS . 1.5 mp -53.92 -65.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.39 -51.79 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 108.63 42.59 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.8 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -58.54 150.05 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 37' ' ' PHE . 35.6 mt -121.31 162.84 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -113.71 159.66 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 28' ' ' LEU . 29.8 m -61.82 -14.91 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 27' ' ' VAL . 12.0 mt -118.64 -53.9 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -51.73 -36.48 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -61.19 139.57 58.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.68 102.98 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.63 109.71 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.62 102.05 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 61.59 31.86 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.41 -37.33 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -75.81 169.68 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.523 ' HB3' HD13 ' A' ' 25' ' ' LEU . 89.8 m-85 -130.65 147.36 52.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.78 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 16.8 m-85 -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 39.5 m80 -72.44 154.63 40.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -59.8 -30.97 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 m -85.18 -52.05 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.606 ' HB3' HD13 ' A' ' 20' ' ' LEU . 4.6 m -52.37 -44.04 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -73.46 105.55 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -162.37 169.07 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 17.0 t -49.08 164.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 16.0 t-80 -104.55 -4.11 23.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 12.7 m -116.08 -32.25 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 14.5 p -119.26 -9.06 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 90.6 mt-10 57.33 37.69 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.27 126.45 39.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.3 m -39.98 113.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.95 97.36 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.5 m95 -64.44 154.24 84.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.541 0.686 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 16.81 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -152.25 39.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.434 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -179.41 49.46 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.59 157.49 32.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -147.0 160.45 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.9 tt0 -108.86 110.13 21.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 68.2 t60 -59.38 134.1 88.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -35.96 11.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.78 -95.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.69 -51.37 38.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.74 40.06 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 50.7 m-70 -123.93 -175.03 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 34.9 m-85 -108.58 119.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.4 m-85 -129.92 160.42 33.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -72.0 168.89 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' HA2' ' A' ' 56' ' ' GLY . 31.3 mt -79.95 17.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -124.23 -21.78 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.3 m170 -113.29 -20.48 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -47.53 113.37 2.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.68 177.11 5.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.3 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' CYS . 15.2 mt -130.72 133.6 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' LEU . 34.9 t -31.98 130.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.0 3.03 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 42' ' ' CYS . 6.9 mt -101.87 -49.37 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -105.26 -40.89 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.43 36.95 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.08 178.89 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -62.19 153.6 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 30' ' ' ARG . 16.9 mt -122.9 172.59 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -128.02 153.23 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' HG ' ' A' ' 28' ' ' LEU . 9.8 p -56.94 -16.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' HG13 ' A' ' 27' ' ' VAL . 48.2 mt -109.5 -59.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ARG . 29.3 mt-10 -47.72 -56.06 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.592 ' HD3' ' CD2' ' A' ' 37' ' ' PHE . 3.9 ptp180 -34.19 136.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -107.22 96.27 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 m -66.75 89.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.4 t -132.76 112.88 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 61.13 30.8 19.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.93 -30.24 4.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 38' ' ' PHE . 99.0 m-70 -82.77 138.43 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CD2' ' HD3' ' A' ' 30' ' ' ARG . 11.9 m-30 -106.45 134.19 49.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -134.63 161.04 36.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 25' ' ' LEU . 16.9 m170 -75.67 142.31 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HA ' HD11 ' A' ' 31' ' ' LEU . 55.0 mtm180 -58.65 -23.02 58.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.2 t -86.88 -46.08 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.691 ' HB3' HD13 ' A' ' 20' ' ' LEU . 98.7 m -63.82 -46.59 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' HD13 ' A' ' 31' ' ' LEU . 1.9 t80 -67.39 92.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 83.9 mtt180 -127.97 178.03 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.84 164.37 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t-80 -102.49 -0.09 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.629 HG22 ' CE1' ' A' ' 71' ' ' HIS . 6.8 m -120.82 -37.98 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.1 p -117.73 -5.56 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 65.4 mt-10 51.72 47.49 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.74 146.58 24.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -55.0 100.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 43' ' ' PHE . 83.2 mt -73.45 99.5 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.455 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.2 m95 -71.46 156.26 91.71 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 16.2 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -148.82 34.2 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.751 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.47 49.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -158.1 159.81 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -150.83 154.5 37.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 19.8 tt0 -109.86 110.3 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 16.8 t-80 -68.46 123.1 86.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.613 0.721 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.92 -51.9 3.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -99.07 -52.52 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.7 35.62 1.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 58.4 m-70 -125.33 179.76 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 70.4 m-85 -112.65 123.44 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 29.4 m-85 -129.34 162.83 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.92 172.1 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.751 HD11 ' HA2' ' A' ' 56' ' ' GLY . 28.0 mt -80.52 15.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -125.89 -11.24 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.9 m170 -123.97 -19.53 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -50.25 115.66 5.7 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.611 0.72 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.76 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' CYS . 19.8 mt -129.92 132.47 46.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -36.79 153.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.2 -45.42 18.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 42' ' ' CYS . 3.0 mp -53.86 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 p -102.12 -48.65 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 81.52 53.99 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -92.04 -62.57 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -171.58 126.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 39' ' ' HIS . 51.3 mt -102.68 146.11 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.6 t80 -114.94 152.82 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.45 -25.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.2 mt -108.55 -72.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LEU . 17.9 mt-10 -33.37 -37.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.6 ptp180 -61.03 132.66 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -117.39 99.61 7.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.19 113.77 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 40.3 t -133.12 106.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 54.7 40.92 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.59 -35.48 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -87.17 132.89 33.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -96.01 157.33 15.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 93.2 m-85 -146.12 154.03 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CD2' HD23 ' A' ' 25' ' ' LEU . 11.6 m170 -70.36 139.24 51.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.92 -15.55 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.8 t -99.76 -48.64 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.904 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m -56.73 -51.66 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 41' ' ' SER . 95.7 mtt180 -139.51 169.01 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.1 t -55.04 162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.8 t-80 -100.15 0.17 40.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.661 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.8 m -122.74 -40.84 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.23 -5.78 14.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 17.9 mt-10 50.85 50.07 19.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.36 139.87 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 m -49.41 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.43 96.88 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.7 m95 -66.36 156.16 86.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.7 Cg_endo -69.77 15.64 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.14 27.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.45 49.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -158.16 163.5 37.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -152.92 154.05 34.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 16.3 tt0 -108.04 111.6 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.524 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 t-80 -66.03 129.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.39 12.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -42.63 -82.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.65 -59.08 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.61 37.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.6 m-70 -123.71 -175.3 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 94.8 m-85 -114.33 123.91 50.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.0 m-85 -128.24 163.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 26.8 p -75.45 171.69 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.29 14.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -126.22 -8.38 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.661 ' CE1' HG22 ' A' ' 47' ' ' THR . 25.8 m170 -126.76 -20.15 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.7 tp -49.73 114.82 4.48 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.4 Cg_endo -69.71 -177.16 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.379 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 24' ' ' HIS . 2.8 mt -140.74 137.99 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.663 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 6.0 t -40.53 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.94 -41.14 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.64 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 104.05 41.07 2.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.86 174.45 5.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.4 t60 -58.45 145.17 39.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD23 ' CD2' ' A' ' 39' ' ' HIS . 45.8 mt -111.65 148.41 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -106.33 169.62 8.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.03 -20.06 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -117.82 15.16 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -126.65 -27.13 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -70.38 138.98 51.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.28 107.44 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.7 p -69.61 102.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 87.4 t -126.18 96.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.32 27.49 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.37 -35.47 4.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -79.49 151.51 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' CB ' HD13 ' A' ' 25' ' ' LEU . 69.5 m-85 -111.22 139.65 46.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 79.7 m-85 -134.59 151.06 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 35.1 m80 -74.04 134.26 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -43.1 -33.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.472 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 89.9 p -81.02 -58.07 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 7.5 m -47.03 -54.67 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -48.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' NE ' ' O ' ' A' ' 41' ' ' SER . 69.2 mtt-85 -142.62 170.77 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.86 164.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 45.6 t-80 -103.43 2.79 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.7 m -123.37 -35.11 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.34 -5.41 9.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 16.4 mt-10 52.88 47.51 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.59 131.42 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.4 m -40.94 104.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.95 95.29 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.428 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.2 m95 -63.67 155.84 74.57 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.47 27.34 1.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -162.15 47.97 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -158.35 167.66 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -160.98 154.33 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.2 tt0 -106.35 105.78 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.7 t-80 -60.04 122.76 68.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -43.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.49 -55.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.5 -65.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.23 35.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.7 m-70 -121.54 173.56 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 96.4 m-85 -107.95 125.92 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 33.7 m-85 -134.98 163.94 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -75.09 169.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 56' ' ' GLY . 36.4 mt -78.01 14.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -122.85 -19.72 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.8 m170 -114.76 -20.06 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.4 tp -46.85 116.57 4.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.02 2.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -129.71 138.64 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' HD11 ' A' ' 25' ' ' LEU . 43.3 t -40.64 161.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.28 -36.98 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' HH21 ' A' ' 44' ' ' ARG . 0.9 OUTLIER -65.42 -63.36 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.44 -49.3 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 97.92 32.08 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -101.62 -177.67 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -66.44 144.05 56.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 mt -113.0 145.97 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -104.35 145.21 30.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG13 ' HG ' ' A' ' 28' ' ' LEU . 13.3 p -41.51 -27.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HG ' HG13 ' A' ' 27' ' ' VAL . 96.2 mt -101.88 -50.18 3.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.14 55.9 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -150.7 129.9 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.17 105.78 14.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.54 106.32 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.449 HG12 ' OD1' ' A' ' 34' ' ' ASN . 16.9 t -133.48 129.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' OD1' HG12 ' A' ' 33' ' ' VAL . 13.5 m120 47.4 25.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.09 -33.59 5.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.13 147.65 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 96.7 m-85 -102.39 150.69 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.2 m-85 -147.0 146.85 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 17.8 m170 -64.59 166.73 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -74.37 -18.96 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 t -99.35 -47.69 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 m -55.84 -37.54 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 16.5 t80 -73.47 101.24 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -159.54 167.87 27.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 14.1 t -47.37 163.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 12.7 t-80 -104.41 -4.63 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.487 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.6 m -117.09 -30.66 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 18.9 p -120.53 -7.32 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 28.3 mt-10 55.81 29.71 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 125.09 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -39.76 114.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 92.4 mt -80.94 102.29 10.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.8 m95 -71.03 154.83 93.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.8 Cg_endo -69.78 11.48 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.69 37.93 1.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.99 52.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -158.53 169.25 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -158.66 150.36 21.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 29.1 tt0 -102.46 116.67 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 30.3 t-80 -76.81 122.54 86.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.8 Cg_endo -69.71 -40.45 5.38 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -33.98 -51.61 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.9 -50.95 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.94 41.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 26.8 m-70 -127.81 -174.64 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 95.4 m-85 -118.75 123.15 44.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 9.7 m-85 -129.25 164.72 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.34 169.3 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -79.09 15.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -125.1 -16.39 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' THR . 42.2 m170 -118.51 -19.92 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -46.99 113.93 2.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 74' ' ' GLN . 6.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.882 0.373 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -127.69 137.33 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 19' ' ' ALA . 6.8 t -40.41 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -95.29 -42.0 8.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.84 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -101.65 -49.19 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 87.06 51.15 3.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.32 -71.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -173.14 127.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 37' ' ' PHE . 17.3 mt -101.34 146.16 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 40.5 t80 -119.66 173.28 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 45.8 t -57.34 -44.08 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 mt -105.74 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -134.98 7.42 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -110.75 129.49 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.3 mp -108.0 99.73 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.91 111.04 4.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 58.0 t -130.13 106.56 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 54.37 36.31 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 -38.82 2.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -75.26 176.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 25' ' ' LEU . 91.4 m-85 -136.5 152.83 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 36.3 m-85 -147.07 159.09 44.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 23.5 m80 -78.71 140.83 38.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' LEU . 60.0 mtt180 -50.65 -27.67 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -86.52 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.656 ' HB3' HD22 ' A' ' 20' ' ' LEU . 32.1 m -47.27 -52.85 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 5.0 t80 -49.23 96.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 65.1 mtt180 -135.53 166.59 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.61 162.65 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 33.1 t-80 -99.06 1.65 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 14.5 m -123.19 -43.29 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.89 -5.87 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 63.0 mt-10 50.79 51.55 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.5 133.24 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.3 m -43.55 102.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 75.0 mt -70.81 94.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.446 ' C ' ' H ' ' A' ' 55' ' ' GLY . 29.9 m95 -60.96 154.85 57.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 0.0 110.968 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.74 17.12 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -153.75 30.68 0.75 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.57 49.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.31 162.43 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -158.64 160.68 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.52 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -109.28 137.43 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 24.4 t-80 -91.59 126.58 53.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -30.93 21.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.23 13.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.33 -56.87 3.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.58 25.52 3.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 96.1 m-70 -118.9 176.83 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.663 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 71.3 m-85 -109.0 125.14 51.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 31.3 m-85 -129.45 163.86 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -73.94 170.92 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -79.23 15.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -126.96 -11.89 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.4 m170 -123.72 -19.53 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.1 tp -52.01 116.6 8.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.636 0.731 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.79 -170.59 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.38 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' CYS . 14.9 mt -125.88 137.08 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' LEU . 47.8 t -32.06 126.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.095 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -84.98 18.08 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 42' ' ' CYS . 7.7 mt -119.74 -48.46 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.22 -48.46 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.96 42.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -121.21 173.49 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -61.76 147.73 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' CB ' ' A' ' 37' ' ' PHE . 39.5 mt -112.95 149.0 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -103.65 -178.14 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.08 -53.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.85 27.67 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 31' ' ' LEU . 30.7 mt-10 -134.69 -37.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -61.52 131.73 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 40' ' ' ARG . 7.1 mp -106.52 100.48 10.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.16 101.99 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 ' HE2' ' A' ' 43' ' ' PHE . 61.9 t -127.58 103.68 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 59.91 34.63 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.05 -33.6 4.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -84.39 136.0 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CB ' HD13 ' A' ' 25' ' ' LEU . 74.6 m-85 -99.86 150.81 21.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 1.095 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 13.9 m-85 -146.97 163.98 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.1 m170 -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.679 ' CG ' HD11 ' A' ' 31' ' ' LEU . 21.7 mtp180 -78.28 -7.51 57.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 13.6 t -107.27 -45.77 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD13 ' A' ' 20' ' ' LEU . 68.9 m -61.2 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.761 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -54.45 84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' CYS . 84.0 mtt180 -130.69 173.96 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 t -57.58 164.67 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 31.1 t-80 -100.65 -4.2 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.645 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.8 m -119.84 -39.55 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -113.62 -4.95 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 88.6 mt-10 48.1 46.74 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 133.47 40.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 m -42.62 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.71 93.85 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -66.04 157.12 82.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.9 Cg_endo -69.73 15.55 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.29 35.03 1.07 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.55 49.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -158.5 168.33 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -152.44 153.89 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 32.2 tt0 -111.96 103.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 24.9 t60 -60.83 126.5 85.62 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.56 0.695 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.75 -43.3 2.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.03 -68.26 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.01 -56.2 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.52 36.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.4 m-70 -121.3 -175.84 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 87.7 m-85 -116.46 124.62 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 23.8 m-85 -131.28 162.26 30.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -74.53 170.94 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.76 16.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -126.78 -13.86 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.645 ' CE1' HG22 ' A' ' 47' ' ' THR . 32.5 m170 -121.87 -18.41 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -51.38 117.99 10.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.81 179.75 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -131.69 114.44 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -160.16 160.17 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.8 84.24 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -136.47 106.55 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.386 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -153.17 109.07 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.63 69.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -107.64 154.11 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -122.64 104.18 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -147.61 170.63 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.65 169.98 22.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.88 -54.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.78 -178.13 20.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 159.38 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.72 51.98 4.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.23 50.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 24' ' ' HIS . 1.3 mt -133.29 135.62 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 40.6 t -41.01 162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.92 -36.68 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.2 mp -56.18 -59.9 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 p -98.96 -52.83 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.26 37.14 2.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -104.14 177.8 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HA ' HD23 ' A' ' 17' ' ' LEU . 15.3 t-80 -64.45 146.2 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' A' ' 37' ' ' PHE . 22.5 mt -116.12 146.37 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.99 172.24 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG23 ' HG ' ' A' ' 28' ' ' LEU . 17.2 m -77.34 -20.45 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.696 ' HG ' HG23 ' A' ' 27' ' ' VAL . 15.6 mt -118.51 13.18 13.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -124.7 -22.97 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 -74.52 143.98 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.22 104.77 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.9 p -69.2 96.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 96.2 t -123.42 101.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' HG12 ' A' ' 33' ' ' VAL . 6.7 m120 62.6 30.51 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.51 -31.21 7.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -83.61 147.37 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' A' ' 25' ' ' LEU . 68.2 m-85 -107.07 144.69 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 44.1 m-85 -139.62 154.06 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 37.6 m80 -75.82 140.65 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -50.71 -28.73 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 39.6 m -84.91 -53.04 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.757 ' HB3' HD22 ' A' ' 20' ' ' LEU . 5.3 m -50.93 -56.77 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.97 101.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 73.8 mtt180 -148.97 173.18 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 20.1 t -63.06 166.76 5.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 7.5 t-80 -101.89 -7.15 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.9 m -118.98 -30.56 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 30.6 p -123.22 0.16 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 14.8 pt-20 40.32 44.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.28 130.94 41.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -41.22 103.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.35 95.06 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -66.97 154.22 92.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 79.62 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.46 -7.37 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.71 43.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -157.58 166.62 32.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.85 148.1 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.9 tt0 -103.57 96.73 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 33.4 t-80 -48.14 133.89 12.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.21 -89.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -61.14 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 49.3 m-70 -114.24 -174.32 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 98.0 m-85 -116.26 122.05 43.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.6 m-85 -131.22 158.14 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -69.45 170.65 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.93 13.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.55 -14.39 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 40.4 m170 -121.82 -17.54 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -51.19 117.06 8.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.73 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' THR . 28.2 mm-40 -160.97 129.47 4.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' GLN . 73.8 p -34.0 138.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -97.46 128.93 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' GLY . 15.2 m -153.47 154.06 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' SER . . . -37.01 119.5 0.6 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.3 Cg_endo -69.75 -39.49 6.46 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . 7.1 m 35.13 40.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.0 m -95.48 144.61 25.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 58.59 43.98 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -91.6 165.27 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 140.14 3.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -172.78 134.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -164.85 147.6 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.83 102.76 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.34 158.73 44.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -161.0 149.61 16.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -135.39 105.83 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -98.35 149.92 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.74 132.17 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.8 135.06 3.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.97 166.78 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.91 37.32 3.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.2 m-20 -130.16 41.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.1 mt -132.26 136.91 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.2 t -35.69 150.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.836 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.75 -26.12 15.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' ' 38' ' ' PHE . 2.9 mm? -71.68 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -92.28 -50.63 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.6 36.27 2.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -109.28 176.74 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.92 149.35 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 72.0 mt -113.68 147.85 37.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.544 ' CE1' HG22 ' A' ' 27' ' ' VAL . 17.3 t80 -109.97 155.66 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 26' ' ' TYR . 16.2 m -47.46 -23.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HG23 ' A' ' 27' ' ' VAL . 54.0 mt -108.67 -42.97 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.05 48.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' NH1' ' SG ' ' A' ' 32' ' ' CYS . 25.9 ptt85 -146.31 133.2 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CD ' ' A' ' 40' ' ' ARG . 8.6 mp -115.79 104.86 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' SG ' ' NH1' ' A' ' 30' ' ' ARG . 1.9 m -67.4 98.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 93.5 t -123.67 99.76 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 54.81 38.75 30.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.67 -38.12 3.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -76.87 138.29 39.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.49 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 71.1 m-85 -110.61 146.53 35.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.836 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -141.76 164.24 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -76.51 148.49 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.55 ' CD ' HD11 ' A' ' 31' ' ' LEU . 24.5 mmm-85 -65.37 -12.78 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.509 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.7 m -99.54 -50.13 4.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.4 m -58.92 -50.63 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -50.99 103.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 41' ' ' SER . 91.3 mtt-85 -150.76 171.06 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.5 t -56.03 162.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.2 t-80 -99.03 -0.57 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 9.2 m -122.27 -42.64 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.99 -4.6 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 44.9 mt-10 48.63 53.0 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.78 136.36 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 m -45.11 104.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.88 94.83 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.59 154.69 92.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 79.66 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.19 -15.91 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.675 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -119.06 44.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -158.25 164.6 36.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 72' ' ' LEU . 3.5 mm-40 -151.5 148.96 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 33.8 tt0 -104.97 102.78 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 44.9 t-80 -54.65 132.82 64.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.79 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.7 -91.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.15 -58.38 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.98 44.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 75.6 m-70 -125.93 -178.99 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 96.4 m-85 -113.36 122.99 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 30.0 m-85 -130.92 161.93 30.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.45 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD11 ' HA2' ' A' ' 56' ' ' GLY . 11.1 mt -77.86 12.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -124.66 -10.07 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.4 m170 -126.2 -17.38 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -54.03 118.43 15.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.74 -178.16 2.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -139.66 109.37 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -55.6 108.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -58.28 -48.27 80.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -53.21 139.88 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.8 174.86 19.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.67 23.81 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.4 p -153.32 169.31 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -78.46 157.25 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.496 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -171.13 132.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -146.69 112.18 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.35 161.3 20.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -119.86 -47.83 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -160.91 130.51 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.1 46.42 1.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.51 105.1 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -56.88 -50.51 72.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -172.49 168.33 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -115.84 -49.41 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.59 150.45 47.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.27 52.92 0.81 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.33 163.32 18.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.25 56.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 t70 -126.54 62.67 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 16' ' ' ASP . 5.9 mt -129.91 130.6 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' LEU . 37.6 t -33.19 147.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -91.86 -21.73 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.94 -66.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -79.74 -49.68 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.8 37.02 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -111.42 -178.89 3.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.99 153.44 33.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 39' ' ' HIS . 34.9 mt -123.49 158.89 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -113.55 153.3 29.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.81 -34.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -95.19 -59.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ARG . 48.8 mt-10 -45.03 -58.42 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HA ' HD22 ' A' ' 25' ' ' LEU . 28.2 ptt180 -36.92 131.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' PHE . 2.3 tp -104.63 101.37 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.7 p -67.7 103.7 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 73.7 t -132.87 105.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 61.31 29.25 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.1 -34.43 5.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 m-70 -77.08 158.94 30.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CB ' HD13 ' A' ' 25' ' ' LEU . 98.5 m-85 -120.95 140.33 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.806 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -145.66 161.52 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CD2' HD23 ' A' ' 25' ' ' LEU . 29.9 m170 -76.77 122.72 25.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -39.13 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 4.5 t -86.13 -52.58 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 m -52.68 -56.52 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.05 101.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 41' ' ' SER . 74.6 mtt180 -141.54 -179.63 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 16.8 t -62.74 167.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 7.7 t-80 -103.47 -7.89 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.3 m -117.88 -28.61 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.446 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.0 p -126.35 -0.17 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 48' ' ' CYS . 11.1 pt-20 41.92 45.34 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.69 130.05 42.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 m -39.97 98.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.94 97.08 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 8.7 m95 -62.45 155.36 68.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.708 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 8.51 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.93 26.52 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.19 48.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 53' ' ' TRP . 3.3 p90 -158.03 170.15 22.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 72' ' ' LEU . 23.7 mt-10 -154.58 141.3 19.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 23.7 tt0 -98.39 110.8 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 34.0 t-80 -65.82 126.17 91.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.31 24.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.8 -76.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -79.4 -58.62 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.42 38.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 25.7 m-70 -122.19 -173.88 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 84.0 m-85 -119.38 124.81 47.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 12.1 m-85 -130.93 159.72 36.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.4 171.48 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 15.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -127.18 -9.69 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CE1' HG22 ' A' ' 47' ' ' THR . 37.5 m170 -125.37 -19.76 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.1 tp -48.95 118.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.56 3.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -154.11 143.11 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.5 p -40.94 158.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -118.88 109.76 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.4 m -67.87 83.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.76 119.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.11 7.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.7 m -127.53 112.78 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 t -151.4 140.34 21.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.49 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -121.89 152.46 39.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -141.18 164.79 29.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.49 140.72 11.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -154.29 153.26 31.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -165.75 167.58 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.23 -166.89 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -175.04 129.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -166.63 114.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -160.42 129.77 5.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -137.53 155.77 48.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -45.0 76.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.27 -102.06 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.1 116.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.14 64.96 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.7 p-10 -99.13 37.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' CYS . 2.0 mt -126.42 134.32 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LEU . 54.1 t -37.3 154.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.27 -29.1 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . 3.9 mm? -65.67 -54.43 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.22 -50.43 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 106.35 42.1 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -116.59 -177.35 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -61.62 157.48 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 37' ' ' PHE . 69.2 mt -124.96 144.25 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -118.32 171.36 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.8 -61.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.42 5.51 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -130.1 55.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -162.9 133.09 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 40' ' ' ARG . 8.1 mp -114.17 105.48 13.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.75 91.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.445 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 49.0 t -121.17 120.32 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.1 36.57 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.86 5.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 43.5 m-70 -80.76 146.22 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' HD13 ' A' ' 25' ' ' LEU . 79.7 m-85 -113.34 145.51 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.749 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -146.67 160.75 41.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -72.71 150.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 31' ' ' LEU . 40.7 mtp180 -64.49 -15.89 61.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 m -98.93 -49.93 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 81.4 m -55.12 -48.41 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 48.7 t80 -56.38 102.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 60.4 mtt180 -147.12 171.81 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.8 t -51.82 164.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 42.0 t-80 -102.61 -0.94 31.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.2 m -121.74 -32.55 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.98 -7.95 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 9.1 mp0 52.63 50.59 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.11 137.64 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -47.45 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 89.9 mt -69.33 89.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -58.76 154.0 38.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 82.25 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -1.23 2.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.08 44.33 1.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -158.08 173.66 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -157.76 150.72 23.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.4 tt0 -106.8 104.16 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.546 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.2 t-80 -58.91 127.42 83.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.42 18.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.91 -78.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.76 -53.24 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.21 39.57 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 3.9 m80 -126.42 -174.87 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 73.8 m-85 -116.93 126.42 52.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 19.7 m-85 -132.62 164.79 25.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.8 p -76.72 170.16 16.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.13 12.08 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -122.43 -10.5 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.7 m170 -125.23 -19.24 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.6 117.65 9.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 52.9 Cg_endo -69.81 -180.0 3.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -154.07 111.73 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ASP . 5.2 t -80.32 -30.04 38.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' THR . 4.2 p-10 36.08 45.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.2 t 37.26 54.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.27 158.33 47.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 107.96 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.7 m -129.46 108.35 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p -148.03 162.17 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.457 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -129.13 81.82 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -140.05 155.14 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.54 96.95 1.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -149.73 165.06 33.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -156.6 147.0 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.97 137.43 4.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -135.92 144.04 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.04 175.82 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -128.12 162.21 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -124.6 151.55 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.03 153.74 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.18 -58.79 0.58 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.77 116.97 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.56 47.33 3.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.447 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 p30 -97.4 47.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 16' ' ' ASP . 18.8 mt -134.45 135.64 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 29.2 t -38.67 156.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.42 -39.37 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 42' ' ' CYS . 1.2 mp -58.4 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -106.65 -50.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 88.13 50.05 3.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -88.49 -70.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -169.68 128.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 30' ' ' ARG . 20.3 mt -103.49 158.77 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -130.18 168.49 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.32 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.41 8.45 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -123.21 -44.36 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HA ' HD22 ' A' ' 25' ' ' LEU . 13.5 ptp180 -46.69 144.57 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.92 98.02 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.56 116.16 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG12 ' OD1' ' A' ' 34' ' ' ASN . 39.4 t -133.38 96.72 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.593 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m120 67.31 33.25 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.79 -37.84 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.58 174.49 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' A' ' 25' ' ' LEU . 93.9 m-85 -130.1 148.1 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.846 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 4.4 m-85 -145.74 165.47 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 27.9 m170 -80.12 121.94 26.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' HIS . 11.2 mmm-85 -38.18 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.4 m -88.6 -56.54 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.638 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.0 m -47.14 -47.92 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.27 102.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -147.43 175.51 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.95 165.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 24.5 t-80 -103.4 -0.17 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.9 m -120.72 -35.2 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.8 p -120.83 -4.51 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 50.45 49.83 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 137.88 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -46.16 100.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.1 mt -72.8 97.31 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.4 m95 -66.95 155.28 90.47 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.72 30.93 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -164.76 44.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -158.38 167.12 30.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -154.22 150.52 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 37.6 tt0 -101.64 107.25 18.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 15.0 t-80 -64.48 124.34 85.61 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.95 11.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -38.14 -67.47 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -91.53 -45.35 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.32 1.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 91.0 m-70 -123.39 -175.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 63.2 m-85 -114.76 125.33 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 35.8 m-85 -135.18 160.34 38.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.93 172.42 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.21 13.92 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.01 -10.39 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 34.9 m170 -124.85 -19.65 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.03 115.4 4.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.9 Cg_endo -69.79 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -151.24 111.96 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -44.54 165.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -169.31 124.15 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t 53.27 42.46 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -147.22 84.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 117.25 4.97 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -62.88 137.49 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.476 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -170.49 163.56 8.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -163.54 175.33 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.29 -168.77 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 p -166.71 158.31 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -127.42 153.31 46.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.0 140.81 12.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -152.48 109.6 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -131.63 82.4 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.11 135.71 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -173.92 137.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.24 148.42 27.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.74 122.44 4.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.88 126.55 33.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.93 48.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.1 m-20 -126.1 45.58 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.01 136.24 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.8 t -43.17 152.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.51 -26.97 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.7 mm? -63.25 -53.94 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.55 -52.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.64 33.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.13 173.38 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.51 144.61 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 39' ' ' HIS . 18.2 mt -110.35 157.74 19.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 77.1 t80 -125.94 167.92 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 38.7 t -43.12 -61.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.71 -29.55 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -88.98 57.05 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -162.84 125.6 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 40' ' ' ARG . 5.0 mp -108.03 97.88 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.26 95.4 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.09 124.73 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 49.39 30.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.82 -28.37 7.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -86.62 140.25 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 25' ' ' LEU . 13.3 m-85 -103.07 147.48 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.764 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 5.0 m-85 -146.94 156.76 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 38.6 m80 -71.96 154.14 41.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HA ' HD11 ' A' ' 31' ' ' LEU . 17.9 mmt180 -69.15 -21.41 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.503 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.0 p -93.8 -40.5 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 73.7 m -63.83 -53.28 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.8 96.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' NE ' ' O ' ' A' ' 41' ' ' SER . 84.8 mtt180 -139.51 172.75 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 49' ' ' GLU . 19.4 t -54.99 165.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.7 t-80 -103.52 -3.76 24.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.0 m -119.46 -32.51 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.17 -6.73 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 5.5 mp0 50.5 51.2 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.33 134.24 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -41.58 102.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.47 98.39 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -68.14 155.84 91.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 7.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.63 38.03 1.48 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -177.07 49.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.11 162.75 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.377 . . . . 0.0 110.926 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' O ' HD13 ' A' ' 72' ' ' LEU . 26.8 mt-10 -153.38 145.62 23.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 13.7 tt0 -102.11 107.98 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 17.1 t-80 -59.91 130.88 88.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -19.93 35.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.16 -98.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -42.36 79.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.48 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 87.5 m-70 -126.76 -179.7 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 59' ' ' GLN . 88.8 m-85 -110.52 122.88 48.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.6 m-85 -127.39 163.82 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -74.83 172.7 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 56' ' ' GLY . 27.4 mt -82.06 16.34 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -127.25 -10.0 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.5 m170 -124.04 -21.3 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -49.16 115.25 4.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.78 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -152.39 135.2 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.8 p -56.88 154.56 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -126.26 -44.34 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 t -96.36 159.74 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.54 39.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 124.6 11.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p 48.62 41.95 18.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -45.42 -55.55 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.489 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 57.5 p 36.17 43.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -154.63 154.69 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.49 179.02 47.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -173.3 110.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 p -168.88 159.68 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.93 71.25 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -149.82 108.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 4.1 p80 -147.7 105.81 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -94.56 91.74 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 11' ' ' GLU . 1.2 pp20? -119.17 39.65 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.98 80.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.28 124.02 1.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLY . . . -92.36 36.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . 37.02 52.61 1.57 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.8 m-20 -85.21 42.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' CYS . 3.4 mt -133.29 134.17 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.8 t -34.35 147.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -90.92 -24.56 20.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.8 mp -73.7 -69.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -80.43 -51.37 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.19 42.96 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.29 175.4 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.448 ' HA ' HD23 ' A' ' 17' ' ' LEU . 14.6 t-80 -54.22 160.42 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 37' ' ' PHE . 50.3 mt -129.29 141.87 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -91.81 171.9 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.92 -1.26 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -123.95 -37.78 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 31.9 mt-10 -71.93 -52.11 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' GLU . 25.2 ptt180 -37.16 134.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -109.89 95.4 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.63 92.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.5 t -133.22 115.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.82 25.61 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.3 -29.35 8.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.2 m-70 -81.64 153.73 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.799 ' HB3' HD13 ' A' ' 25' ' ' LEU . 51.1 m-85 -116.48 132.18 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 2.4 m-85 -132.14 162.68 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.3 m170 -79.1 142.45 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' A' ' 31' ' ' LEU . 18.7 mmt180 -61.7 -10.05 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -104.07 -36.45 7.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.862 ' HB3' HD22 ' A' ' 20' ' ' LEU . 10.3 m -68.6 -55.02 12.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.94 95.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 97.8 mtt180 -138.32 173.66 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.83 165.83 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 13.5 t-80 -103.3 -4.42 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.649 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.7 m -119.99 -28.77 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.4 p -127.01 -2.39 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 10.4 pt-20 44.92 51.06 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.05 130.6 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 44' ' ' ARG . 39.6 m -38.96 101.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.75 106.79 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -79.7 155.48 75.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 6.96 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.91 29.79 2.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.2 49.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -158.24 166.15 33.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -161.15 154.43 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 53.1 tt0 -100.11 124.17 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.535 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 19.1 t-80 -77.43 125.37 86.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.52 36.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.82 -82.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.52 -42.43 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 73.0 m-70 -118.9 -177.47 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 80.9 m-85 -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 13.0 m-85 -129.11 159.31 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.71 169.97 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.436 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.06 15.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.2 -11.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.0 m170 -122.41 -21.52 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.63 112.09 1.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.2 Cg_endo -69.81 175.63 7.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' THR . 20.7 mm-40 -150.83 109.9 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.7 p -37.26 116.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.35 43.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -66.26 148.5 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.77 70.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 p -155.34 141.44 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.2 p -50.36 117.01 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -154.41 108.12 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.66 86.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -126.72 41.36 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.807 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -139.65 171.61 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.37 154.68 8.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.96 148.87 15.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -128.56 127.78 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -113.12 144.28 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -86.83 170.42 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.29 36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.3 -100.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.5 108.9 15.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.54 38.01 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.554 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.5 t70 -125.12 62.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.12 134.13 50.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 25.6 t -39.5 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -94.9 -38.41 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.1 mp -57.71 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -79.11 -51.94 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 105.56 36.47 2.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -108.14 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -57.55 153.09 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 37' ' ' PHE . 14.8 mt -117.63 175.74 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -133.89 179.45 6.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -76.31 -54.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.92 26.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -133.99 -51.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 25' ' ' LEU . 12.9 ptt180 -45.75 144.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -114.3 97.77 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.77 89.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.62 130.97 56.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 48.37 44.1 19.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.31 21.9 62.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -129.0 159.72 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.729 ' HB3' HD13 ' A' ' 25' ' ' LEU . 71.3 m-85 -117.71 129.38 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.759 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 27.0 m-85 -130.77 161.14 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 32.8 m80 -81.78 131.56 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 31' ' ' LEU . 31.7 mmm-85 -50.33 -17.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -93.86 -45.91 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.758 ' HB3' HD22 ' A' ' 20' ' ' LEU . 4.2 m -59.72 -55.32 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.43 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 82.4 mtt180 -136.75 169.78 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.19 166.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 19.0 t-80 -103.03 -5.49 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.2 m -120.23 -28.78 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.4 p -125.07 -1.54 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 11.8 pt-20 43.57 45.23 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 131.91 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.6 m -40.93 102.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.38 100.92 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 3.4 m95 -70.45 155.39 93.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.516 0.674 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.8 7.47 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.87 34.4 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.74 49.07 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.427 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.36 164.19 36.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 72' ' ' LEU . 56.7 mt-10 -155.5 146.17 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 43.8 tt0 -99.49 113.15 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -68.81 124.8 91.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -42.48 3.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.89 -60.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.33 -54.83 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 30.6 m-70 -116.86 178.23 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 74.4 m-85 -114.12 121.68 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.3 m-85 -129.21 161.54 29.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.0 p -72.05 169.15 16.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 56' ' ' GLY . 15.8 mt -78.01 15.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -124.12 -18.33 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 38.3 m170 -118.12 -18.79 9.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 58' ' ' GLU . 5.9 tp -50.89 114.56 4.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -173.67 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -148.08 -177.84 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.3 p -90.63 48.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -42.17 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -115.22 150.56 35.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.31 85.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.08 3.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -119.62 87.52 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -102.07 147.85 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -69.05 -43.6 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 62.89 42.19 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.3 167.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -156.74 106.56 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -101.35 -50.72 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.76 140.38 11.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.64 122.42 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -101.28 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -140.11 120.07 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -165.93 105.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.89 167.34 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.53 -146.02 13.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.32 128.04 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.16 78.1 1.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.74 44.66 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' CYS . 6.8 mt -132.8 134.25 44.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 42.0 t -36.42 144.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -92.25 -23.23 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.2 mm? -74.15 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.9 p -93.58 -52.67 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 96.94 38.25 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.86 -75.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' NE2' ' A' ' 39' ' ' HIS . 7.1 t-80 -163.03 -179.36 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.759 HD13 ' CB ' ' A' ' 37' ' ' PHE . 32.4 mt -148.11 162.6 39.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -118.6 -176.18 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.48 -44.93 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.17 25.33 8.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -58.17 135.6 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.1 mp -101.05 99.06 9.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 p -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 90.6 t -126.74 106.54 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 61.72 29.98 18.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 -28.06 10.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.4 148.67 25.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.759 ' CB ' HD13 ' A' ' 25' ' ' LEU . 95.1 m-85 -112.97 145.59 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -145.81 163.2 35.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 21.4 m170 -79.12 143.55 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.847 ' HG2' HD11 ' A' ' 31' ' ' LEU . 75.0 mtt180 -62.88 -16.39 58.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.3 t -93.46 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.02 -50.9 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.91 99.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.9 mtt180 -139.79 176.46 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.83 164.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.0 t-80 -101.16 -1.38 34.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.5 m -120.51 -41.11 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.16 -3.56 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 39.6 mt-10 47.94 51.55 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.4 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -51.9 97.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.03 93.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 7.3 m95 -60.06 155.86 41.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.552 0.691 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.3 Cg_endo -69.84 14.29 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.02 30.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.455 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.31 47.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -158.17 168.95 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -156.16 151.09 26.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 20.5 tt0 -104.63 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 12.2 t-80 -70.5 120.94 81.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -30.55 21.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.51 -53.84 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.89 -49.45 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.98 40.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 86.4 m-70 -128.23 -177.16 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 88.9 m-85 -116.16 125.75 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 26.5 m-85 -132.48 159.73 38.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.6 p -72.34 171.43 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.98 13.49 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -124.17 -12.53 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 47' ' ' THR . 33.7 m170 -123.32 -17.74 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.3 tp -53.79 114.53 6.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.74 -171.43 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -154.22 139.26 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.0 p -43.88 -23.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -85.0 78.52 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 t -140.23 146.25 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.43 162.22 25.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.4 Cg_endo -69.77 129.53 17.74 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.342 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 79' ' ' PRO . 2.2 m -34.54 128.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.5 t -107.63 132.7 53.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -170.84 137.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -170.97 152.3 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.38 128.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -163.34 167.74 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -163.58 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.69 156.63 27.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -164.01 122.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.63 176.59 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -144.4 153.74 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -88.96 139.89 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.6 123.38 24.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.97 -42.63 3.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.42 172.94 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.46 49.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.65 53.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.6 mt -137.33 134.1 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 49.8 t -37.37 143.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . . . -92.66 -22.41 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 38' ' ' PHE . 3.6 mm? -71.4 -54.34 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.5 p -99.18 -51.28 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 109.11 40.75 1.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -120.15 176.34 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.75 154.74 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.671 HD13 ' CB ' ' A' ' 37' ' ' PHE . 13.5 mt -121.12 152.65 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.77 -23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.97 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.7 mm-40 -44.1 -49.11 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 25' ' ' LEU . 8.8 ptm180 -46.94 150.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 29' ' ' GLU . 5.3 mp -125.42 103.32 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.2 p -67.25 93.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -121.46 103.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 63.61 26.27 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.47 -32.84 6.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -83.65 148.15 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.671 ' CB ' HD13 ' A' ' 25' ' ' LEU . 93.3 m-85 -109.61 142.58 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.73 ' HE1' ' HB3' ' A' ' 19' ' ' ALA . 47.8 m-85 -138.6 145.14 40.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.485 ' CD2' HD23 ' A' ' 25' ' ' LEU . 24.2 m170 -67.14 138.56 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HG2' HD11 ' A' ' 31' ' ' LEU . 7.2 mmm180 -50.67 -27.51 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 62.9 m -84.05 -55.18 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' ARG . 74.7 m -54.61 -53.91 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.15 92.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 89.5 mtt180 -143.86 170.38 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.0 t -58.44 165.1 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 23.3 t-80 -102.35 -1.95 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.599 HG22 ' CE1' ' A' ' 71' ' ' HIS . 5.4 m -120.47 -36.09 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -119.45 -3.74 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 36.6 mt-10 48.45 51.42 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.33 131.65 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -41.43 100.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.92 98.81 2.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.419 ' C ' ' H ' ' A' ' 55' ' ' GLY . 9.9 m95 -64.39 154.84 82.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.528 0.68 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.76 13.27 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.705 2.27 . . . . 0.0 112.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.22 35.29 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.26 49.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.32 160.71 37.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.934 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.4 159.33 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.5 tt0 -113.82 102.83 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.6 t-80 -59.47 122.41 64.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.12 21.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.58 -65.26 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.1 40.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 63.3 m-70 -122.37 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 83.9 m-85 -119.59 120.09 35.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 15.4 m-85 -128.34 160.24 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.5 p -70.17 170.39 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.7 mt -79.6 16.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -125.14 -20.39 4.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.7 m170 -113.14 -21.43 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -45.75 116.91 3.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.75 177.3 5.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -149.73 115.11 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 t -67.63 163.39 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.86 -47.43 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -113.66 137.34 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.03 63.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.8 Cg_endo -69.77 146.52 60.37 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 79' ' ' PRO . 21.4 m -35.51 122.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 177.32 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.463 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m 46.25 42.12 9.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -89.25 145.42 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.64 111.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -172.67 115.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -128.57 171.82 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.03 77.99 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -106.51 126.68 52.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -139.52 123.06 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -144.98 106.95 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -81.95 178.12 8.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.41 168.41 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.11 -145.79 20.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.32 139.41 49.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.52 -63.64 5.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 58.16 43.53 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' CYS . 13.8 mt -124.16 131.96 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' LEU . 26.1 t -31.2 122.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.0 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -81.85 12.92 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 38' ' ' PHE . 2.7 mt -112.66 -47.92 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -105.64 -47.99 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.7 33.22 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -108.5 -176.48 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.25 141.13 43.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 47.7 mt -101.57 167.33 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -136.6 167.82 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -48.8 -59.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -81.91 -36.36 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -82.22 59.82 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -163.15 130.61 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 43' ' ' PHE . 7.6 mp -118.43 103.15 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.59 102.82 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.76 115.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 51.38 31.12 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.92 8.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.7 130.52 34.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.06 150.81 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 1.0 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 70.3 m-85 -146.3 152.2 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 15.2 m170 -67.46 166.75 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -79.02 -18.14 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -97.98 -46.16 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 20' ' ' LEU . 94.5 m -62.68 -32.04 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CD2' HD22 ' A' ' 31' ' ' LEU . 38.1 t80 -74.32 96.71 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -151.4 174.97 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.54 162.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 21.5 t-80 -102.16 -1.46 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 16.0 m -119.13 -37.24 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.79 -8.74 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 6.6 mm-40 56.27 46.11 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.82 51.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.3 m -39.35 113.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 57' ' ' TYR . 87.7 mt -80.81 95.88 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -67.61 155.95 90.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.2 Cg_endo -69.69 12.55 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -147.08 35.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.24 47.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.468 ' HB2' HD22 ' A' ' 52' ' ' LEU . 3.4 p90 -158.27 160.68 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -150.42 151.39 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.2 tt0 -107.78 104.96 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 27.8 t-80 -56.7 120.37 36.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -27.44 26.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.74 -72.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -83.56 -51.01 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.62 46.68 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 48.6 m-70 -128.4 -176.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 86.5 m-85 -118.4 123.49 45.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 57.3 m-85 -134.01 161.85 33.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 27.4 p -73.78 171.51 13.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA2' ' A' ' 56' ' ' GLY . 34.0 mt -79.7 15.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.8 -12.18 5.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.9 m170 -123.26 -18.4 6.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -48.23 118.41 6.58 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.571 0.701 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.76 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.28 129.82 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -91.23 172.41 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -107.07 42.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.7 p -120.08 -28.74 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.92 -86.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -17.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.7 p 43.18 41.97 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -61.12 -57.96 10.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -107.04 126.57 52.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -93.13 -56.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.07 -161.56 12.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -164.77 172.14 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -124.99 165.95 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.87 126.54 6.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -141.75 110.17 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -116.72 112.09 20.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.82 161.61 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -140.86 162.17 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 163.48 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.51 -104.72 2.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.41 157.81 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.36 46.6 0.97 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 m-20 -118.0 76.87 1.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 16' ' ' ASP . 9.5 mt -134.55 131.44 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 31.1 t -34.42 143.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.47 9.62 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 42' ' ' CYS . 3.8 mt -106.57 -51.32 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -104.54 -37.97 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 42.58 3.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -119.08 174.73 6.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -58.23 148.74 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 39' ' ' HIS . 10.7 mt -116.14 138.86 50.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.72 153.35 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 27' ' ' VAL . 4.2 p -59.18 -15.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.42 1.42 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -122.74 35.56 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -129.79 126.69 38.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 40' ' ' ARG . 9.8 mp -108.58 104.28 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.75 93.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 60.2 t -117.83 112.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 55.61 28.19 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.52 -32.23 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -84.59 140.24 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -96.43 147.49 23.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 67.1 m-85 -142.53 146.7 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 26.6 m170 -64.44 150.43 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HG2' HD11 ' A' ' 31' ' ' LEU . 19.5 mtp180 -67.73 -8.36 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -109.26 -47.7 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.767 ' HB3' HD13 ' A' ' 20' ' ' LEU . 83.2 m -57.07 -42.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.95 104.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 93.8 mtt180 -145.24 170.83 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 t -54.56 164.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 37.8 t-80 -103.17 0.68 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.621 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.0 m -122.08 -35.3 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.64 -5.18 9.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 29.2 mt-10 51.13 49.59 20.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.07 136.49 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.6 m -46.4 97.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 97.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -69.92 155.89 92.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.51 0.671 . . . . 0.0 110.972 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.393 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -146.49 29.77 1.59 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.521 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.17 50.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.23 153.19 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' HD13 ' A' ' 72' ' ' LEU . 10.1 mm-40 -153.31 154.61 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -103.88 135.87 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 32.5 t-80 -84.88 122.81 74.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.08 9.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.95 -70.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.52 -44.89 11.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.71 32.08 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 39.2 m-70 -116.14 172.28 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.589 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 67.3 m-85 -108.66 122.83 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 28.4 m-85 -128.57 163.94 23.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.4 p -74.33 169.85 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 HD11 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -78.19 12.86 1.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -123.14 -12.35 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.621 ' CE1' HG22 ' A' ' 47' ' ' THR . 31.8 m170 -122.23 -20.49 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 58' ' ' GLU . 4.7 tp -52.24 116.23 8.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.78 173.51 10.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -144.29 127.74 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 p -54.36 177.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -102.29 -55.48 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -127.92 43.63 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.39 135.93 12.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.73 2.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.389 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 m -74.63 156.74 36.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -132.94 163.2 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.497 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -170.03 154.07 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -164.06 142.03 7.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.5 110.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -145.42 106.45 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -162.86 121.57 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 118.76 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -172.97 155.53 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -160.88 134.94 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -167.81 136.07 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.56 108.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.34 78.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 151.0 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.5 44.11 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -132.3 37.27 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' CYS . 21.9 mt -127.26 134.73 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LEU . 35.4 t -29.99 119.98 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.796 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.53 12.86 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 4.5 mt -112.69 -48.06 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.38 -47.24 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.35 41.73 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.385 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.8 143.03 57.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 39' ' ' HIS . 64.4 mt -105.86 164.83 11.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -120.7 -176.52 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.17 -46.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.69 21.73 10.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -129.43 -34.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.49 134.77 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' CD2' ' A' ' 43' ' ' PHE . 4.5 mp -105.95 101.55 11.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -66.68 98.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 64.2 t -124.18 100.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 49.46 48.78 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 -33.05 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -80.6 132.27 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -109.29 143.49 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.796 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.7 m-85 -140.32 170.11 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CD2' HD23 ' A' ' 25' ' ' LEU . 10.7 m170 -82.44 154.08 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' CD ' HD11 ' A' ' 31' ' ' LEU . 15.5 mmt85 -69.63 -16.99 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 84.5 p -97.95 -48.31 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.42 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.673 ' CD2' HD22 ' A' ' 31' ' ' LEU . 37.9 t80 -61.98 95.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 41' ' ' SER . 63.8 mtt180 -144.95 172.43 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 23.0 t -56.25 165.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 25.7 t-80 -101.45 -3.2 29.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.8 m -119.46 -38.35 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.5 p -114.47 -4.92 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 42.6 mt-10 49.37 46.12 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.12 141.77 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.8 m -54.97 96.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 69.4 mt -66.16 93.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.42 154.04 94.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 76.97 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.59 26.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.8 40.11 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -153.47 171.07 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -160.46 157.03 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.7 tt0 -108.75 112.68 25.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.7 t-80 -63.44 128.85 93.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.05 26.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.36 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.97 -51.97 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.79 43.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 88.7 m-70 -127.12 -174.42 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 35.4 m-85 -119.87 124.72 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 12.4 m-85 -131.59 164.68 25.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 30.9 p -73.41 168.05 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.22 15.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -123.85 -18.66 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 47' ' ' THR . 41.8 m170 -117.68 -18.64 9.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -49.47 116.06 5.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.75 -172.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.29 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -155.43 125.87 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' THR . 7.8 t -71.23 106.03 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 -54.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -56.57 168.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.96 125.83 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 148.79 66.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.0 m -43.39 166.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 t -40.77 -43.6 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.517 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t 63.85 43.43 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -60.3 145.22 48.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.29 152.62 17.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -132.79 176.74 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -84.92 143.27 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.56 -149.22 17.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 37.75 41.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.4 110.63 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 64.01 43.72 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.46 -45.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.76 116.34 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.19 -91.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 128.84 39.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.99 -108.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 60.97 38.14 17.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -126.06 136.62 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 9.6 t -40.47 162.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.78 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -99.84 -39.83 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 42' ' ' CYS . 1.5 mp -53.92 -65.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.39 -51.79 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 108.63 42.59 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.8 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -58.54 150.05 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 37' ' ' PHE . 35.6 mt -121.31 162.84 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -113.71 159.66 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 28' ' ' LEU . 29.8 m -61.82 -14.91 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 27' ' ' VAL . 12.0 mt -118.64 -53.9 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -51.73 -36.48 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -61.19 139.57 58.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.68 102.98 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.63 109.71 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.62 102.05 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 61.59 31.86 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.41 -37.33 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -75.81 169.68 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.523 ' HB3' HD13 ' A' ' 25' ' ' LEU . 89.8 m-85 -130.65 147.36 52.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.78 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 16.8 m-85 -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 39.5 m80 -72.44 154.63 40.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -59.8 -30.97 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 m -85.18 -52.05 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.606 ' HB3' HD13 ' A' ' 20' ' ' LEU . 4.6 m -52.37 -44.04 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -73.46 105.55 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -162.37 169.07 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 17.0 t -49.08 164.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 16.0 t-80 -104.55 -4.11 23.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 12.7 m -116.08 -32.25 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 14.5 p -119.26 -9.06 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 90.6 mt-10 57.33 37.69 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.27 126.45 39.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.3 m -39.98 113.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.95 97.36 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.5 m95 -64.44 154.24 84.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.541 0.686 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 16.81 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -152.25 39.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -179.41 49.46 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.59 157.49 32.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -147.0 160.45 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.9 tt0 -108.86 110.13 21.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 68.2 t60 -59.38 134.1 88.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -35.96 11.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.78 -95.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.69 -51.37 38.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.74 40.06 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 50.7 m-70 -123.93 -175.03 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 34.9 m-85 -108.58 119.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.4 m-85 -129.92 160.42 33.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -72.0 168.89 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' HA2' ' A' ' 56' ' ' GLY . 31.3 mt -79.95 17.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -124.23 -21.78 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.3 m170 -113.29 -20.48 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -47.53 113.37 2.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.68 177.11 5.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -155.09 106.56 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 76' ' ' ASP . 8.9 t -49.8 -41.83 45.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' THR . 5.5 m-20 -35.82 111.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -113.33 156.73 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.84 -65.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 140.29 42.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 m -107.22 95.06 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 t -64.32 123.59 19.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.48 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -172.97 164.76 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -119.99 -52.47 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.12 43.36 1.01 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -107.52 101.88 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -157.93 147.76 20.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.4 120.7 2.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -144.37 129.75 18.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -154.08 165.7 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -106.74 132.97 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -46.57 -56.32 6.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.79 79.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.44 42.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.29 -61.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.72 -33.39 4.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.3 m-20 -78.7 47.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' CYS . 15.2 mt -130.72 133.6 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' LEU . 34.9 t -31.98 130.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.0 3.03 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 42' ' ' CYS . 6.9 mt -101.87 -49.37 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -105.26 -40.89 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.43 36.95 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.08 178.89 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -62.19 153.6 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 30' ' ' ARG . 16.9 mt -122.9 172.59 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -128.02 153.23 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' HG ' ' A' ' 28' ' ' LEU . 9.8 p -56.94 -16.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' HG13 ' A' ' 27' ' ' VAL . 48.2 mt -109.5 -59.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ARG . 29.3 mt-10 -47.72 -56.06 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.592 ' HD3' ' CD2' ' A' ' 37' ' ' PHE . 3.9 ptp180 -34.19 136.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -107.22 96.27 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 m -66.75 89.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.4 t -132.76 112.88 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 61.13 30.8 19.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.93 -30.24 4.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 38' ' ' PHE . 99.0 m-70 -82.77 138.43 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CD2' ' HD3' ' A' ' 30' ' ' ARG . 11.9 m-30 -106.45 134.19 49.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -134.63 161.04 36.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 25' ' ' LEU . 16.9 m170 -75.67 142.31 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HA ' HD11 ' A' ' 31' ' ' LEU . 55.0 mtm180 -58.65 -23.02 58.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.2 t -86.88 -46.08 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.691 ' HB3' HD13 ' A' ' 20' ' ' LEU . 98.7 m -63.82 -46.59 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' HD13 ' A' ' 31' ' ' LEU . 1.9 t80 -67.39 92.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 83.9 mtt180 -127.97 178.03 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.84 164.37 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t-80 -102.49 -0.09 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.629 HG22 ' CE1' ' A' ' 71' ' ' HIS . 6.8 m -120.82 -37.98 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.1 p -117.73 -5.56 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 65.4 mt-10 51.72 47.49 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.74 146.58 24.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -55.0 100.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 43' ' ' PHE . 83.2 mt -73.45 99.5 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.455 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.2 m95 -71.46 156.26 91.71 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 16.2 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -148.82 34.2 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.751 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.47 49.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -158.1 159.81 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -150.83 154.5 37.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 19.8 tt0 -109.86 110.3 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 16.8 t-80 -68.46 123.1 86.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.613 0.721 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.92 -51.9 3.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -99.07 -52.52 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.7 35.62 1.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 58.4 m-70 -125.33 179.76 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 70.4 m-85 -112.65 123.44 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 29.4 m-85 -129.34 162.83 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.92 172.1 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.751 HD11 ' HA2' ' A' ' 56' ' ' GLY . 28.0 mt -80.52 15.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -125.89 -11.24 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.9 m170 -123.97 -19.53 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -50.25 115.66 5.7 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.611 0.72 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.76 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -155.33 119.35 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.6 t -66.86 147.5 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.67 143.25 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 m -66.53 -58.79 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.17 174.17 17.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 156.25 63.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.0 p -72.57 123.71 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -129.52 87.57 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.477 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -155.37 122.71 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -133.05 155.25 49.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.15 134.68 3.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -119.46 123.58 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -89.26 139.57 30.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.57 89.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -105.77 142.09 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -79.46 177.36 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -131.36 165.01 24.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -94.28 167.38 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.18 154.21 31.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.41 144.63 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.48 163.74 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.341 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.68 45.83 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -118.99 44.78 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' CYS . 19.8 mt -129.92 132.47 46.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -36.79 153.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.2 -45.42 18.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 42' ' ' CYS . 3.0 mp -53.86 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 p -102.12 -48.65 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 81.52 53.99 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -92.04 -62.57 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -171.58 126.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 39' ' ' HIS . 51.3 mt -102.68 146.11 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.6 t80 -114.94 152.82 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.45 -25.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.2 mt -108.55 -72.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LEU . 17.9 mt-10 -33.37 -37.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.6 ptp180 -61.03 132.66 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -117.39 99.61 7.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.19 113.77 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 40.3 t -133.12 106.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 54.7 40.92 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.59 -35.48 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -87.17 132.89 33.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -96.01 157.33 15.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 93.2 m-85 -146.12 154.03 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CD2' HD23 ' A' ' 25' ' ' LEU . 11.6 m170 -70.36 139.24 51.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.92 -15.55 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.8 t -99.76 -48.64 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.904 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m -56.73 -51.66 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 41' ' ' SER . 95.7 mtt180 -139.51 169.01 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.1 t -55.04 162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.8 t-80 -100.15 0.17 40.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.661 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.8 m -122.74 -40.84 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.23 -5.78 14.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 17.9 mt-10 50.85 50.07 19.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.36 139.87 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 m -49.41 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.43 96.88 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.7 m95 -66.36 156.16 86.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.7 Cg_endo -69.77 15.64 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.14 27.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.45 49.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -158.16 163.5 37.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -152.92 154.05 34.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 16.3 tt0 -108.04 111.6 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.524 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 t-80 -66.03 129.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.39 12.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -42.63 -82.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.65 -59.08 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.61 37.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.6 m-70 -123.71 -175.3 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 94.8 m-85 -114.33 123.91 50.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.0 m-85 -128.24 163.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 26.8 p -75.45 171.69 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.29 14.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -126.22 -8.38 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.661 ' CE1' HG22 ' A' ' 47' ' ' THR . 25.8 m170 -126.76 -20.15 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.7 tp -49.73 114.82 4.48 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.4 Cg_endo -69.71 -177.16 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.379 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -159.09 120.52 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.5 p -38.92 157.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -141.17 144.2 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t 51.27 40.67 26.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.28 -135.68 1.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -19.02 36.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 m -126.65 170.08 12.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.9 m -97.37 136.04 38.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.477 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -141.51 128.0 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 4' ' ' GLY . 36.5 m -97.84 -44.78 6.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.62 70.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -107.45 103.96 13.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -64.33 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.73 117.84 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -82.58 82.31 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -157.05 127.16 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -50.89 171.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.37 -55.73 5.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.74 165.92 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.32 -174.14 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.89 153.04 24.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.11 78.43 0.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.08 59.46 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 24' ' ' HIS . 2.8 mt -140.74 137.99 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.663 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 6.0 t -40.53 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.94 -41.14 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.64 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 104.05 41.07 2.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.86 174.45 5.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.4 t60 -58.45 145.17 39.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD23 ' CD2' ' A' ' 39' ' ' HIS . 45.8 mt -111.65 148.41 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -106.33 169.62 8.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.03 -20.06 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -117.82 15.16 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -126.65 -27.13 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -70.38 138.98 51.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.28 107.44 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.7 p -69.61 102.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 87.4 t -126.18 96.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.32 27.49 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.37 -35.47 4.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -79.49 151.51 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' CB ' HD13 ' A' ' 25' ' ' LEU . 69.5 m-85 -111.22 139.65 46.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 79.7 m-85 -134.59 151.06 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 35.1 m80 -74.04 134.26 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -43.1 -33.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.472 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 89.9 p -81.02 -58.07 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 7.5 m -47.03 -54.67 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -48.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' NE ' ' O ' ' A' ' 41' ' ' SER . 69.2 mtt-85 -142.62 170.77 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.86 164.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 45.6 t-80 -103.43 2.79 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.7 m -123.37 -35.11 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.34 -5.41 9.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 16.4 mt-10 52.88 47.51 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.59 131.42 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.4 m -40.94 104.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.95 95.29 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.428 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.2 m95 -63.67 155.84 74.57 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.47 27.34 1.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -162.15 47.97 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -158.35 167.66 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -160.98 154.33 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.2 tt0 -106.35 105.78 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.7 t-80 -60.04 122.76 68.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -43.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.49 -55.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.5 -65.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.23 35.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.7 m-70 -121.54 173.56 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 96.4 m-85 -107.95 125.92 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 33.7 m-85 -134.98 163.94 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -75.09 169.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 56' ' ' GLY . 36.4 mt -78.01 14.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -122.85 -19.72 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.8 m170 -114.76 -20.06 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.4 tp -46.85 116.57 4.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.02 2.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -151.14 117.56 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.3 t -91.2 146.17 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -87.2 89.42 7.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.0 m -96.96 88.25 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.787 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.09 -161.7 11.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 111.71 2.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.284 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.5 m -85.34 -54.4 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.7 t 60.84 44.73 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -157.98 113.47 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -143.52 153.95 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.8 176.69 16.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -167.93 172.89 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -89.65 172.97 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.42 129.0 2.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.45 141.86 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' GLN . 6.8 p80 -115.78 -43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' HIS . 19.7 mm-40 -34.42 115.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.34 134.46 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.71 140.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -90.15 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.06 -44.57 4.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.05 33.62 1.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -115.58 47.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -129.71 138.64 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' HD11 ' A' ' 25' ' ' LEU . 43.3 t -40.64 161.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.28 -36.98 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' HH21 ' A' ' 44' ' ' ARG . 0.9 OUTLIER -65.42 -63.36 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.44 -49.3 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 97.92 32.08 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -101.62 -177.67 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -66.44 144.05 56.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 mt -113.0 145.97 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -104.35 145.21 30.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG13 ' HG ' ' A' ' 28' ' ' LEU . 13.3 p -41.51 -27.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HG ' HG13 ' A' ' 27' ' ' VAL . 96.2 mt -101.88 -50.18 3.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.14 55.9 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -150.7 129.9 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.17 105.78 14.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.54 106.32 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.449 HG12 ' OD1' ' A' ' 34' ' ' ASN . 16.9 t -133.48 129.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' OD1' HG12 ' A' ' 33' ' ' VAL . 13.5 m120 47.4 25.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.09 -33.59 5.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.13 147.65 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 96.7 m-85 -102.39 150.69 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.2 m-85 -147.0 146.85 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 17.8 m170 -64.59 166.73 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -74.37 -18.96 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 t -99.35 -47.69 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 m -55.84 -37.54 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 16.5 t80 -73.47 101.24 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -159.54 167.87 27.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 14.1 t -47.37 163.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 12.7 t-80 -104.41 -4.63 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.487 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.6 m -117.09 -30.66 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 18.9 p -120.53 -7.32 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 28.3 mt-10 55.81 29.71 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 125.09 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -39.76 114.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 92.4 mt -80.94 102.29 10.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.8 m95 -71.03 154.83 93.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.8 Cg_endo -69.78 11.48 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.69 37.93 1.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.99 52.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -158.53 169.25 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -158.66 150.36 21.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 29.1 tt0 -102.46 116.67 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 30.3 t-80 -76.81 122.54 86.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.8 Cg_endo -69.71 -40.45 5.38 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -33.98 -51.61 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.9 -50.95 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.94 41.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 26.8 m-70 -127.81 -174.64 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 95.4 m-85 -118.75 123.15 44.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 9.7 m-85 -129.25 164.72 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.34 169.3 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -79.09 15.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -125.1 -16.39 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' THR . 42.2 m170 -118.51 -19.92 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -46.99 113.93 2.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 74' ' ' GLN . 6.4 mm-40 -159.54 122.51 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 76' ' ' ASP . 2.1 t -93.92 115.44 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 34.08 45.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 t -112.33 44.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.74 -103.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.52 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.1 p -43.61 117.25 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -93.07 134.22 35.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -127.72 116.54 20.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -165.73 162.54 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.0 79.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -97.77 91.96 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -132.34 156.51 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 173.96 15.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CD ' ' OE1' ' A' ' 10' ' ' GLN . 39.1 tt0 -102.64 -40.65 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 70.05 45.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' OE1' ' CD ' ' A' ' 8' ' ' GLN . 10.1 pt20 -108.75 128.85 55.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -135.71 153.6 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.07 118.0 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.36 110.66 3.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.69 -42.42 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.82 0.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.08 36.06 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -127.69 137.33 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 19' ' ' ALA . 6.8 t -40.41 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -95.29 -42.0 8.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.84 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -101.65 -49.19 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 87.06 51.15 3.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.32 -71.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -173.14 127.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 37' ' ' PHE . 17.3 mt -101.34 146.16 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 40.5 t80 -119.66 173.28 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 45.8 t -57.34 -44.08 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 mt -105.74 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -134.98 7.42 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -110.75 129.49 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.3 mp -108.0 99.73 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.91 111.04 4.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 58.0 t -130.13 106.56 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 54.37 36.31 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 -38.82 2.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -75.26 176.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 25' ' ' LEU . 91.4 m-85 -136.5 152.83 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 36.3 m-85 -147.07 159.09 44.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 23.5 m80 -78.71 140.83 38.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' LEU . 60.0 mtt180 -50.65 -27.67 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -86.52 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.656 ' HB3' HD22 ' A' ' 20' ' ' LEU . 32.1 m -47.27 -52.85 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 5.0 t80 -49.23 96.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 65.1 mtt180 -135.53 166.59 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.61 162.65 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 33.1 t-80 -99.06 1.65 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 14.5 m -123.19 -43.29 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.89 -5.87 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 63.0 mt-10 50.79 51.55 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.5 133.24 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.3 m -43.55 102.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 75.0 mt -70.81 94.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.446 ' C ' ' H ' ' A' ' 55' ' ' GLY . 29.9 m95 -60.96 154.85 57.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 0.0 110.968 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.74 17.12 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -153.75 30.68 0.75 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.57 49.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.31 162.43 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -158.64 160.68 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.52 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -109.28 137.43 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 24.4 t-80 -91.59 126.58 53.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -30.93 21.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.23 13.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.33 -56.87 3.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.58 25.52 3.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 96.1 m-70 -118.9 176.83 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.663 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 71.3 m-85 -109.0 125.14 51.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 31.3 m-85 -129.45 163.86 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -73.94 170.92 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -79.23 15.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -126.96 -11.89 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.4 m170 -123.72 -19.53 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.1 tp -52.01 116.6 8.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.636 0.731 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.79 -170.59 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.38 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -148.71 112.66 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p 38.85 45.55 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.59 90.03 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -45.85 136.21 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.42 140.88 12.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 105.89 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 t -111.53 116.56 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -124.76 107.9 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.51 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -84.68 -51.77 6.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -59.56 106.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.69 -159.16 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -164.04 124.61 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -107.3 104.9 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.54 92.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -118.78 88.2 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -77.28 100.25 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.8 mm-40 -108.71 159.51 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 31.9 tt0 -35.35 141.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.25 -52.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.3 -74.02 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.89 81.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 97.28 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -126.21 47.82 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' CYS . 14.9 mt -125.88 137.08 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' LEU . 47.8 t -32.06 126.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.095 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -84.98 18.08 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 42' ' ' CYS . 7.7 mt -119.74 -48.46 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.22 -48.46 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.96 42.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -121.21 173.49 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -61.76 147.73 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' CB ' ' A' ' 37' ' ' PHE . 39.5 mt -112.95 149.0 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -103.65 -178.14 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.08 -53.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.85 27.67 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 31' ' ' LEU . 30.7 mt-10 -134.69 -37.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -61.52 131.73 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 40' ' ' ARG . 7.1 mp -106.52 100.48 10.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.16 101.99 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 ' HE2' ' A' ' 43' ' ' PHE . 61.9 t -127.58 103.68 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 59.91 34.63 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.05 -33.6 4.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -84.39 136.0 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CB ' HD13 ' A' ' 25' ' ' LEU . 74.6 m-85 -99.86 150.81 21.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 1.095 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 13.9 m-85 -146.97 163.98 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.1 m170 -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.679 ' CG ' HD11 ' A' ' 31' ' ' LEU . 21.7 mtp180 -78.28 -7.51 57.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 13.6 t -107.27 -45.77 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD13 ' A' ' 20' ' ' LEU . 68.9 m -61.2 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.761 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -54.45 84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' CYS . 84.0 mtt180 -130.69 173.96 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 t -57.58 164.67 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 31.1 t-80 -100.65 -4.2 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.645 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.8 m -119.84 -39.55 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -113.62 -4.95 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 88.6 mt-10 48.1 46.74 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 133.47 40.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 m -42.62 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.71 93.85 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -66.04 157.12 82.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.9 Cg_endo -69.73 15.55 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.29 35.03 1.07 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.55 49.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -158.5 168.33 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -152.44 153.89 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 32.2 tt0 -111.96 103.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 24.9 t60 -60.83 126.5 85.62 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.56 0.695 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.75 -43.3 2.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.03 -68.26 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.01 -56.2 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.52 36.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.4 m-70 -121.3 -175.84 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 87.7 m-85 -116.46 124.62 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 23.8 m-85 -131.28 162.26 30.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -74.53 170.94 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.76 16.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -126.78 -13.86 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.645 ' CE1' HG22 ' A' ' 47' ' ' THR . 32.5 m170 -121.87 -18.41 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -51.38 117.99 10.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.81 179.75 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -155.81 131.01 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 t -105.03 38.54 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -133.88 -38.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.6 t -125.25 126.79 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.19 119.01 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.6 p -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p -47.94 -49.03 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.467 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 24' ' ' HIS . 1.3 mt -133.29 135.62 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 40.6 t -41.01 162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.92 -36.68 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.2 mp -56.18 -59.9 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 p -98.96 -52.83 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.26 37.14 2.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -104.14 177.8 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HA ' HD23 ' A' ' 17' ' ' LEU . 15.3 t-80 -64.45 146.2 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' A' ' 37' ' ' PHE . 22.5 mt -116.12 146.37 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.99 172.24 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG23 ' HG ' ' A' ' 28' ' ' LEU . 17.2 m -77.34 -20.45 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.696 ' HG ' HG23 ' A' ' 27' ' ' VAL . 15.6 mt -118.51 13.18 13.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -124.7 -22.97 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 -74.52 143.98 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.22 104.77 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.9 p -69.2 96.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 96.2 t -123.42 101.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' HG12 ' A' ' 33' ' ' VAL . 6.7 m120 62.6 30.51 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.51 -31.21 7.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -83.61 147.37 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' A' ' 25' ' ' LEU . 68.2 m-85 -107.07 144.69 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 44.1 m-85 -139.62 154.06 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 37.6 m80 -75.82 140.65 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -50.71 -28.73 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 39.6 m -84.91 -53.04 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.757 ' HB3' HD22 ' A' ' 20' ' ' LEU . 5.3 m -50.93 -56.77 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.97 101.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 73.8 mtt180 -148.97 173.18 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 20.1 t -63.06 166.76 5.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.4 t60 -101.89 -7.15 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.9 m -118.98 -30.56 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 30.6 p -123.22 0.16 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 14.8 pt-20 40.32 44.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.28 130.94 41.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -41.22 103.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.35 95.06 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -66.97 154.22 92.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 79.62 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.46 -7.37 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.71 43.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -157.58 166.62 32.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.85 148.1 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.9 tt0 -103.57 96.73 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 33.4 t-80 -48.14 133.89 12.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.21 -89.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -61.14 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 49.3 m-70 -114.24 -174.32 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 98.0 m-85 -116.26 122.05 43.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.6 m-85 -131.22 158.14 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -69.45 170.65 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.93 13.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.55 -14.39 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 40.4 m170 -121.82 -17.54 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -51.19 117.06 8.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.73 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.2 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.1 mt -132.26 136.91 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.2 t -35.69 150.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.836 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.75 -26.12 15.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' ' 38' ' ' PHE . 2.9 mm? -71.68 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -92.28 -50.63 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.6 36.27 2.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -109.28 176.74 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.92 149.35 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 72.0 mt -113.68 147.85 37.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.544 ' CE1' HG22 ' A' ' 27' ' ' VAL . 17.3 t80 -109.97 155.66 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 26' ' ' TYR . 16.2 m -47.46 -23.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HG23 ' A' ' 27' ' ' VAL . 54.0 mt -108.67 -42.97 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.05 48.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' NH1' ' SG ' ' A' ' 32' ' ' CYS . 25.9 ptt85 -146.31 133.2 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CD ' ' A' ' 40' ' ' ARG . 8.6 mp -115.79 104.86 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' SG ' ' NH1' ' A' ' 30' ' ' ARG . 1.9 m -67.4 98.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 93.5 t -123.67 99.76 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 54.81 38.75 30.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.67 -38.12 3.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -76.87 138.29 39.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.49 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 71.1 m-85 -110.61 146.53 35.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.836 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -141.76 164.24 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -76.51 148.49 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.55 ' CD ' HD11 ' A' ' 31' ' ' LEU . 24.5 mmm-85 -65.37 -12.78 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.509 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.7 m -99.54 -50.13 4.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.4 m -58.92 -50.63 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -50.99 103.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 41' ' ' SER . 91.3 mtt-85 -150.76 171.06 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.5 t -56.03 162.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 31.5 t60 -99.03 -0.57 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 9.2 m -122.27 -42.64 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.99 -4.6 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 44.9 mt-10 48.63 53.0 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.78 136.36 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 m -45.11 104.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.88 94.83 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.59 154.69 92.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 79.66 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.19 -15.91 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.675 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -119.06 44.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -158.25 164.6 36.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 72' ' ' LEU . 3.5 mm-40 -151.5 148.96 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 33.8 tt0 -104.97 102.78 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 44.9 t-80 -54.65 132.82 64.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.79 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.7 -91.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.15 -58.38 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.98 44.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 75.6 m-70 -125.93 -178.99 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 96.4 m-85 -113.36 122.99 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 30.0 m-85 -130.92 161.93 30.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.45 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.675 HD11 ' HA2' ' A' ' 56' ' ' GLY . 11.1 mt -77.86 12.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -124.66 -10.07 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.4 m170 -126.2 -17.38 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -54.03 118.43 15.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.74 -178.16 2.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 t70 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 16' ' ' ASP . 5.9 mt -129.91 130.6 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' LEU . 37.6 t -33.19 147.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -91.86 -21.73 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.94 -66.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -79.74 -49.68 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.8 37.02 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -111.42 -178.89 3.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.99 153.44 33.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 39' ' ' HIS . 34.9 mt -123.49 158.89 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -113.55 153.3 29.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.81 -34.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -95.19 -59.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ARG . 48.8 mt-10 -45.03 -58.42 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HA ' HD22 ' A' ' 25' ' ' LEU . 28.2 ptt180 -36.92 131.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' PHE . 2.3 tp -104.63 101.37 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.7 p -67.7 103.7 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 73.7 t -132.87 105.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 61.31 29.25 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.1 -34.43 5.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 m-70 -77.08 158.94 30.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CB ' HD13 ' A' ' 25' ' ' LEU . 98.5 m-85 -120.95 140.33 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.806 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -145.66 161.52 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CD2' HD23 ' A' ' 25' ' ' LEU . 29.9 m170 -76.77 122.72 25.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -39.13 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 4.5 t -86.13 -52.58 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 m -52.68 -56.52 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.05 101.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 41' ' ' SER . 74.6 mtt180 -141.54 -179.63 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 16.8 t -62.74 167.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 14.5 t60 -103.47 -7.89 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.3 m -117.88 -28.61 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.446 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.0 p -126.35 -0.17 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 48' ' ' CYS . 11.1 pt-20 41.92 45.34 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.69 130.05 42.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 m -39.97 98.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.94 97.08 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 8.7 m95 -62.45 155.36 68.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.708 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 8.51 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.93 26.52 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.19 48.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 53' ' ' TRP . 3.3 p90 -158.03 170.15 22.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 72' ' ' LEU . 23.7 mt-10 -154.58 141.3 19.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 23.7 tt0 -98.39 110.8 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 34.0 t-80 -65.82 126.17 91.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.31 24.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.8 -76.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -79.4 -58.62 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.42 38.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 25.7 m-70 -122.19 -173.88 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 84.0 m-85 -119.38 124.81 47.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 12.1 m-85 -130.93 159.72 36.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.4 171.48 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 15.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -127.18 -9.69 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CE1' HG22 ' A' ' 47' ' ' THR . 37.5 m170 -125.37 -19.76 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.1 tp -48.95 118.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.56 3.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.7 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' CYS . 2.0 mt -126.42 134.32 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LEU . 54.1 t -37.3 154.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.27 -29.1 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . 3.9 mm? -65.67 -54.43 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.22 -50.43 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 106.35 42.1 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -116.59 -177.35 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -61.62 157.48 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 37' ' ' PHE . 69.2 mt -124.96 144.25 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -118.32 171.36 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.8 -61.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.42 5.51 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -130.1 55.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -162.9 133.09 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 40' ' ' ARG . 8.1 mp -114.17 105.48 13.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.75 91.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.445 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 49.0 t -121.17 120.32 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.1 36.57 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.86 5.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 43.5 m-70 -80.76 146.22 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' HD13 ' A' ' 25' ' ' LEU . 79.7 m-85 -113.34 145.51 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.749 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -146.67 160.75 41.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -72.71 150.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 31' ' ' LEU . 40.7 mtp180 -64.49 -15.89 61.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 m -98.93 -49.93 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 81.4 m -55.12 -48.41 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 48.7 t80 -56.38 102.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 60.4 mtt180 -147.12 171.81 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.8 t -51.82 164.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.1 t60 -102.61 -0.94 31.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.2 m -121.74 -32.55 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.98 -7.95 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 9.1 mp0 52.63 50.59 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.11 137.64 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -47.45 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 89.9 mt -69.33 89.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -58.76 154.0 38.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 82.25 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -1.23 2.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.08 44.33 1.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -158.08 173.66 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -157.76 150.72 23.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.4 tt0 -106.8 104.16 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.546 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.2 t-80 -58.91 127.42 83.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.42 18.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.91 -78.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.76 -53.24 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.21 39.57 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 8.7 m-70 -126.42 -174.87 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 73.8 m-85 -116.93 126.42 52.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 19.7 m-85 -132.62 164.79 25.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.8 p -76.72 170.16 16.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.13 12.08 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -122.43 -10.5 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.7 m170 -125.23 -19.24 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.6 117.65 9.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 52.9 Cg_endo -69.81 -180.0 3.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 16' ' ' ASP . 18.8 mt -134.45 135.64 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 29.2 t -38.67 156.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.42 -39.37 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 42' ' ' CYS . 1.2 mp -58.4 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -106.65 -50.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 88.13 50.05 3.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -88.49 -70.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -169.68 128.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 30' ' ' ARG . 20.3 mt -103.49 158.77 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -130.18 168.49 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.32 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.41 8.45 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -123.21 -44.36 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HA ' HD22 ' A' ' 25' ' ' LEU . 13.5 ptp180 -46.69 144.57 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.92 98.02 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.56 116.16 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.593 HG12 ' OD1' ' A' ' 34' ' ' ASN . 39.4 t -133.38 96.72 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.593 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m120 67.31 33.25 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.79 -37.84 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.58 174.49 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' A' ' 25' ' ' LEU . 93.9 m-85 -130.1 148.1 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.846 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 4.4 m-85 -145.74 165.47 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 27.9 m170 -80.12 121.94 26.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' HIS . 11.2 mmm-85 -38.18 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.4 m -88.6 -56.54 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.638 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.0 m -47.14 -47.92 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.27 102.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -147.43 175.51 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.95 165.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.601 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 29.5 t60 -103.4 -0.17 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.9 m -120.72 -35.2 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.8 p -120.83 -4.51 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 50.45 49.83 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 137.88 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -46.16 100.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.1 mt -72.8 97.31 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.4 m95 -66.95 155.28 90.47 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.72 30.93 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -164.76 44.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -158.38 167.12 30.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -154.22 150.52 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 37.6 tt0 -101.64 107.25 18.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 15.0 t-80 -64.48 124.34 85.61 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.95 11.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -38.14 -67.47 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -91.53 -45.35 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.32 1.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 91.0 m-70 -123.39 -175.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 63.2 m-85 -114.76 125.33 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 35.8 m-85 -135.18 160.34 38.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.93 172.42 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.21 13.92 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.01 -10.39 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 34.9 m170 -124.85 -19.65 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.03 115.4 4.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.9 Cg_endo -69.79 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.1 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.01 136.24 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.8 t -43.17 152.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.51 -26.97 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.7 mm? -63.25 -53.94 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.55 -52.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.64 33.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.13 173.38 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.51 144.61 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 39' ' ' HIS . 18.2 mt -110.35 157.74 19.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 77.1 t80 -125.94 167.92 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 38.7 t -43.12 -61.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.71 -29.55 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -88.98 57.05 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -162.84 125.6 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 40' ' ' ARG . 5.0 mp -108.03 97.88 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.26 95.4 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.09 124.73 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 49.39 30.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.82 -28.37 7.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -86.62 140.25 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 25' ' ' LEU . 13.3 m-85 -103.07 147.48 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.764 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 5.0 m-85 -146.94 156.76 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 38.6 m80 -71.96 154.14 41.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HA ' HD11 ' A' ' 31' ' ' LEU . 17.9 mmt180 -69.15 -21.41 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.503 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.0 p -93.8 -40.5 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 73.7 m -63.83 -53.28 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.8 96.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' NE ' ' O ' ' A' ' 41' ' ' SER . 84.8 mtt180 -139.51 172.75 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 49' ' ' GLU . 19.4 t -54.99 165.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 25.0 t60 -103.52 -3.76 24.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.0 m -119.46 -32.51 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.17 -6.73 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 5.5 mp0 50.5 51.2 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.33 134.24 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -41.58 102.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.47 98.39 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -68.14 155.84 91.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 7.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.63 38.03 1.48 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -177.07 49.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.11 162.75 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.377 . . . . 0.0 110.926 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' O ' HD13 ' A' ' 72' ' ' LEU . 26.8 mt-10 -153.38 145.62 23.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 13.7 tt0 -102.11 107.98 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 17.1 t-80 -59.91 130.88 88.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -19.93 35.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.16 -98.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -42.36 79.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.48 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 87.5 m-70 -126.76 -179.7 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 59' ' ' GLN . 88.8 m-85 -110.52 122.88 48.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.6 m-85 -127.39 163.82 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -74.83 172.7 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 56' ' ' GLY . 27.4 mt -82.06 16.34 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -127.25 -10.0 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.5 m170 -124.04 -21.3 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -49.16 115.25 4.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.78 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.8 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' CYS . 3.4 mt -133.29 134.17 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.8 t -34.35 147.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -90.92 -24.56 20.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.8 mp -73.7 -69.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -80.43 -51.37 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.19 42.96 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.29 175.4 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.448 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.0 t60 -54.22 160.42 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 37' ' ' PHE . 50.3 mt -129.29 141.87 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -91.81 171.9 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.92 -1.26 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -123.95 -37.78 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 31.9 mt-10 -71.93 -52.11 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' GLU . 25.2 ptt180 -37.16 134.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -109.89 95.4 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.63 92.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.5 t -133.22 115.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.82 25.61 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.3 -29.35 8.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.2 m-70 -81.64 153.73 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.799 ' HB3' HD13 ' A' ' 25' ' ' LEU . 51.1 m-85 -116.48 132.18 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 2.4 m-85 -132.14 162.68 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.3 m170 -79.1 142.45 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' A' ' 31' ' ' LEU . 18.7 mmt180 -61.7 -10.05 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -104.07 -36.45 7.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.862 ' HB3' HD22 ' A' ' 20' ' ' LEU . 10.3 m -68.6 -55.02 12.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.94 95.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 97.8 mtt180 -138.32 173.66 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.83 165.83 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.3 t60 -103.3 -4.42 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.649 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.7 m -119.99 -28.77 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.4 p -127.01 -2.39 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 10.4 pt-20 44.92 51.06 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.05 130.6 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 44' ' ' ARG . 39.6 m -38.96 101.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.75 106.79 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -79.7 155.48 75.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 6.96 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.91 29.79 2.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.436 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.2 49.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -158.24 166.15 33.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -161.15 154.43 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 53.1 tt0 -100.11 124.17 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.535 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 19.1 t-80 -77.43 125.37 86.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.52 36.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.82 -82.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.52 -42.43 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 73.0 m-70 -118.9 -177.47 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 80.9 m-85 -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 13.0 m-85 -129.11 159.31 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.71 169.97 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.436 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.06 15.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.2 -11.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.0 m170 -122.41 -21.52 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.63 112.09 1.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.2 Cg_endo -69.81 175.63 7.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.554 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.5 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.12 134.13 50.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 25.6 t -39.5 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -94.9 -38.41 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.1 mp -57.71 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -79.11 -51.94 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 105.56 36.47 2.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -108.14 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -57.55 153.09 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 37' ' ' PHE . 14.8 mt -117.63 175.74 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -133.89 179.45 6.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -76.31 -54.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.92 26.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -133.99 -51.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 25' ' ' LEU . 12.9 ptt180 -45.75 144.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -114.3 97.77 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.77 89.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.62 130.97 56.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 48.37 44.1 19.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.31 21.9 62.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -129.0 159.72 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.729 ' HB3' HD13 ' A' ' 25' ' ' LEU . 71.3 m-85 -117.71 129.38 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.759 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 27.0 m-85 -130.77 161.14 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 32.8 m80 -81.78 131.56 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 31' ' ' LEU . 31.7 mmm-85 -50.33 -17.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -93.86 -45.91 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.758 ' HB3' HD22 ' A' ' 20' ' ' LEU . 4.2 m -59.72 -55.32 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.43 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 82.4 mtt180 -136.75 169.78 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.19 166.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 23.5 t60 -103.03 -5.49 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.2 m -120.23 -28.78 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.4 p -125.07 -1.54 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 11.8 pt-20 43.57 45.23 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 131.91 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.6 m -40.93 102.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.38 100.92 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 3.4 m95 -70.45 155.39 93.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.516 0.674 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.8 7.47 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.87 34.4 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.74 49.07 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.427 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.36 164.19 36.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 72' ' ' LEU . 56.7 mt-10 -155.5 146.17 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 43.8 tt0 -99.49 113.15 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -68.81 124.8 91.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -42.48 3.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.89 -60.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.33 -54.83 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 30.6 m-70 -116.86 178.23 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 74.4 m-85 -114.12 121.68 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.3 m-85 -129.21 161.54 29.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.0 p -72.05 169.15 16.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 56' ' ' GLY . 15.8 mt -78.01 15.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -124.12 -18.33 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 38.3 m170 -118.12 -18.79 9.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 58' ' ' GLU . 5.9 tp -50.89 114.56 4.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -173.67 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' CYS . 6.8 mt -132.8 134.25 44.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 42.0 t -36.42 144.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -92.25 -23.23 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.2 mm? -74.15 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.9 p -93.58 -52.67 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 96.94 38.25 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.86 -75.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.514 ' CD2' ' H ' ' A' ' 25' ' ' LEU . 6.8 t60 -163.03 -179.36 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.759 HD13 ' CB ' ' A' ' 37' ' ' PHE . 32.4 mt -148.11 162.6 39.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -118.6 -176.18 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.48 -44.93 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.17 25.33 8.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -58.17 135.6 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.1 mp -101.05 99.06 9.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 p -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 90.6 t -126.74 106.54 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 61.72 29.98 18.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 -28.06 10.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.4 148.67 25.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.759 ' CB ' HD13 ' A' ' 25' ' ' LEU . 95.1 m-85 -112.97 145.59 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -145.81 163.2 35.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 21.4 m170 -79.12 143.55 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.847 ' HG2' HD11 ' A' ' 31' ' ' LEU . 75.0 mtt180 -62.88 -16.39 58.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.3 t -93.46 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.02 -50.9 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.91 99.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.9 mtt180 -139.79 176.46 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.83 164.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 32.4 t60 -101.16 -1.38 34.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.5 m -120.51 -41.11 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.16 -3.56 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 39.6 mt-10 47.94 51.55 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.4 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -51.9 97.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.03 93.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 7.3 m95 -60.06 155.86 41.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.552 0.691 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.3 Cg_endo -69.84 14.29 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.02 30.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.455 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.31 47.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -158.17 168.95 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -156.16 151.09 26.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 20.5 tt0 -104.63 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 12.2 t-80 -70.5 120.94 81.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -30.55 21.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.51 -53.84 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.89 -49.45 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.98 40.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 86.4 m-70 -128.23 -177.16 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 88.9 m-85 -116.16 125.75 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 26.5 m-85 -132.48 159.73 38.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.6 p -72.34 171.43 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.98 13.49 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -124.17 -12.53 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 47' ' ' THR . 33.7 m170 -123.32 -17.74 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.3 tp -53.79 114.53 6.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.74 -171.43 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.6 mt -137.33 134.1 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 49.8 t -37.37 143.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . . . -92.66 -22.41 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 38' ' ' PHE . 3.6 mm? -71.4 -54.34 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.5 p -99.18 -51.28 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 109.11 40.75 1.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -120.15 176.34 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.75 154.74 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.671 HD13 ' CB ' ' A' ' 37' ' ' PHE . 13.5 mt -121.12 152.65 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.77 -23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.97 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.7 mm-40 -44.1 -49.11 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 25' ' ' LEU . 8.8 ptm180 -46.94 150.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 29' ' ' GLU . 5.3 mp -125.42 103.32 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.2 p -67.25 93.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -121.46 103.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 63.61 26.27 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.47 -32.84 6.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -83.65 148.15 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.671 ' CB ' HD13 ' A' ' 25' ' ' LEU . 93.3 m-85 -109.61 142.58 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.73 ' HE1' ' HB3' ' A' ' 19' ' ' ALA . 47.8 m-85 -138.6 145.14 40.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.485 ' CD2' HD23 ' A' ' 25' ' ' LEU . 24.2 m170 -67.14 138.56 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HG2' HD11 ' A' ' 31' ' ' LEU . 7.2 mmm180 -50.67 -27.51 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 62.9 m -84.05 -55.18 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' ARG . 74.7 m -54.61 -53.91 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.15 92.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 89.5 mtt180 -143.86 170.38 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.0 t -58.44 165.1 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.7 t60 -102.35 -1.95 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.599 HG22 ' CE1' ' A' ' 71' ' ' HIS . 5.4 m -120.47 -36.09 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -119.45 -3.74 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 36.6 mt-10 48.45 51.42 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.33 131.65 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -41.43 100.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.92 98.81 2.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.419 ' C ' ' H ' ' A' ' 55' ' ' GLY . 9.9 m95 -64.39 154.84 82.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.528 0.68 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.76 13.27 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.705 2.27 . . . . 0.0 112.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.22 35.29 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.26 49.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.32 160.71 37.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.934 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.4 159.33 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.5 tt0 -113.82 102.83 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.6 t-80 -59.47 122.41 64.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.12 21.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.58 -65.26 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.1 40.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 63.3 m-70 -122.37 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 83.9 m-85 -119.59 120.09 35.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 15.4 m-85 -128.34 160.24 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.5 p -70.17 170.39 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.7 mt -79.6 16.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -125.14 -20.39 4.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.7 m170 -113.14 -21.43 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -45.75 116.91 3.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.75 177.3 5.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' CYS . 13.8 mt -124.16 131.96 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' LEU . 26.1 t -31.2 122.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.0 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -81.85 12.92 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 38' ' ' PHE . 2.7 mt -112.66 -47.92 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -105.64 -47.99 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.7 33.22 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -108.5 -176.48 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.25 141.13 43.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 47.7 mt -101.57 167.33 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -136.6 167.82 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -48.8 -59.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -81.91 -36.36 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -82.22 59.82 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -163.15 130.61 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 43' ' ' PHE . 7.6 mp -118.43 103.15 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.59 102.82 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.76 115.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 51.38 31.12 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.92 8.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.7 130.52 34.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.06 150.81 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 1.0 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 70.3 m-85 -146.3 152.2 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 15.2 m170 -67.46 166.75 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -79.02 -18.14 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -97.98 -46.16 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 20' ' ' LEU . 94.5 m -62.68 -32.04 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CD2' HD22 ' A' ' 31' ' ' LEU . 38.1 t80 -74.32 96.71 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -151.4 174.97 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.54 162.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 26.2 t60 -102.16 -1.46 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 16.0 m -119.13 -37.24 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.79 -8.74 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 6.6 mm-40 56.27 46.11 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.82 51.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.3 m -39.35 113.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 57' ' ' TYR . 87.7 mt -80.81 95.88 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -67.61 155.95 90.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.2 Cg_endo -69.69 12.55 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -147.08 35.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.24 47.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.468 ' HB2' HD22 ' A' ' 52' ' ' LEU . 3.4 p90 -158.27 160.68 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -150.42 151.39 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.2 tt0 -107.78 104.96 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 27.8 t-80 -56.7 120.37 36.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -27.44 26.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.74 -72.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -83.56 -51.01 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.62 46.68 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 48.6 m-70 -128.4 -176.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 86.5 m-85 -118.4 123.49 45.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 57.3 m-85 -134.01 161.85 33.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 27.4 p -73.78 171.51 13.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA2' ' A' ' 56' ' ' GLY . 34.0 mt -79.7 15.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.8 -12.18 5.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.9 m170 -123.26 -18.4 6.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -48.23 118.41 6.58 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.571 0.701 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.76 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 m-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 16' ' ' ASP . 9.5 mt -134.55 131.44 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 31.1 t -34.42 143.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.47 9.62 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 42' ' ' CYS . 3.8 mt -106.57 -51.32 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -104.54 -37.97 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 42.58 3.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -119.08 174.73 6.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -58.23 148.74 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 39' ' ' HIS . 10.7 mt -116.14 138.86 50.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.72 153.35 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 27' ' ' VAL . 4.2 p -59.18 -15.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.42 1.42 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -122.74 35.56 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -129.79 126.69 38.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 40' ' ' ARG . 9.8 mp -108.58 104.28 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.75 93.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 60.2 t -117.83 112.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 55.61 28.19 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.52 -32.23 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -84.59 140.24 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -96.43 147.49 23.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 67.1 m-85 -142.53 146.7 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 26.6 m170 -64.44 150.43 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HG2' HD11 ' A' ' 31' ' ' LEU . 19.5 mtp180 -67.73 -8.36 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -109.26 -47.7 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.767 ' HB3' HD13 ' A' ' 20' ' ' LEU . 83.2 m -57.07 -42.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.95 104.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 93.8 mtt180 -145.24 170.83 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 t -54.56 164.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 31.9 t60 -103.17 0.68 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.621 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.0 m -122.08 -35.3 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.64 -5.18 9.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 29.2 mt-10 51.13 49.59 20.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.07 136.49 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.6 m -46.4 97.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 97.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -69.92 155.89 92.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.51 0.671 . . . . 0.0 110.972 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.393 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -146.49 29.77 1.59 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.521 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.17 50.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.23 153.19 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' HD13 ' A' ' 72' ' ' LEU . 10.1 mm-40 -153.31 154.61 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -103.88 135.87 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 32.5 t-80 -84.88 122.81 74.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.08 9.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.95 -70.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.52 -44.89 11.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.71 32.08 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 39.2 m-70 -116.14 172.28 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.589 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 67.3 m-85 -108.66 122.83 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 28.4 m-85 -128.57 163.94 23.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.4 p -74.33 169.85 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 HD11 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -78.19 12.86 1.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -123.14 -12.35 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.621 ' CE1' HG22 ' A' ' 47' ' ' THR . 31.8 m170 -122.23 -20.49 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 58' ' ' GLU . 4.7 tp -52.24 116.23 8.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.78 173.51 10.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.897 0.38 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' CYS . 21.9 mt -127.26 134.73 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LEU . 35.4 t -29.99 119.98 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.796 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.53 12.86 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 4.5 mt -112.69 -48.06 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.38 -47.24 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.35 41.73 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.385 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.8 143.03 57.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 39' ' ' HIS . 64.4 mt -105.86 164.83 11.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -120.7 -176.52 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.17 -46.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.69 21.73 10.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -129.43 -34.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.49 134.77 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' CD2' ' A' ' 43' ' ' PHE . 4.5 mp -105.95 101.55 11.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -66.68 98.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 64.2 t -124.18 100.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 49.46 48.78 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 -33.05 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -80.6 132.27 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -109.29 143.49 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.796 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.7 m-85 -140.32 170.11 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CD2' HD23 ' A' ' 25' ' ' LEU . 10.7 m170 -82.44 154.08 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.428 ' CD ' HD11 ' A' ' 31' ' ' LEU . 15.5 mmt85 -69.63 -16.99 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 84.5 p -97.95 -48.31 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.42 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.673 ' CD2' HD22 ' A' ' 31' ' ' LEU . 37.9 t80 -61.98 95.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 41' ' ' SER . 63.8 mtt180 -144.95 172.43 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 23.0 t -56.25 165.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 38.6 t60 -101.45 -3.2 29.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.8 m -119.46 -38.35 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.5 p -114.47 -4.92 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 42.6 mt-10 49.37 46.12 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.12 141.77 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.8 m -54.97 96.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 69.4 mt -66.16 93.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.42 154.04 94.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 76.97 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.59 26.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.8 40.11 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -153.47 171.07 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -160.46 157.03 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.7 tt0 -108.75 112.68 25.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.7 t-80 -63.44 128.85 93.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.05 26.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.36 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.97 -51.97 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.79 43.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 88.7 m-70 -127.12 -174.42 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 35.4 m-85 -119.87 124.72 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 12.4 m-85 -131.59 164.68 25.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 30.9 p -73.41 168.05 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.22 15.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -123.85 -18.66 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 47' ' ' THR . 41.8 m170 -117.68 -18.64 9.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -49.47 116.06 5.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.75 -172.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.29 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -126.06 136.62 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 9.6 t -40.47 162.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.78 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -99.84 -39.83 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 42' ' ' CYS . 1.5 mp -53.92 -65.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.39 -51.79 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 108.63 42.59 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.8 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.54 150.05 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 37' ' ' PHE . 35.6 mt -121.31 162.84 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -113.71 159.66 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 28' ' ' LEU . 29.8 m -61.82 -14.91 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 27' ' ' VAL . 12.0 mt -118.64 -53.9 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -51.73 -36.48 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -61.19 139.57 58.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.68 102.98 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.63 109.71 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.62 102.05 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 61.59 31.86 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.41 -37.33 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -75.81 169.68 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.523 ' HB3' HD13 ' A' ' 25' ' ' LEU . 89.8 m-85 -130.65 147.36 52.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.78 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 16.8 m-85 -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 39.5 m80 -72.44 154.63 40.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -59.8 -30.97 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 m -85.18 -52.05 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.606 ' HB3' HD13 ' A' ' 20' ' ' LEU . 4.6 m -52.37 -44.04 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -73.46 105.55 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -162.37 169.07 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 17.0 t -49.08 164.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.6 t60 -104.55 -4.11 23.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 12.7 m -116.08 -32.25 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 14.5 p -119.26 -9.06 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 90.6 mt-10 57.33 37.69 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.27 126.45 39.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.3 m -39.98 113.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.95 97.36 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.5 m95 -64.44 154.24 84.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.541 0.686 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 16.81 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -152.25 39.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.434 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -179.41 49.46 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.59 157.49 32.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -147.0 160.45 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.9 tt0 -108.86 110.13 21.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 31.8 t-80 -59.38 134.1 88.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.74 -35.96 11.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.78 -95.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.69 -51.37 38.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.74 40.06 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 50.7 m-70 -123.93 -175.03 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 34.9 m-85 -108.58 119.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.4 m-85 -129.92 160.42 33.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -72.0 168.89 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' HA2' ' A' ' 56' ' ' GLY . 31.3 mt -79.95 17.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -124.23 -21.78 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.3 m170 -113.29 -20.48 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -47.53 113.37 2.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.68 177.11 5.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.3 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' CYS . 15.2 mt -130.72 133.6 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' LEU . 34.9 t -31.98 130.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.0 3.03 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 42' ' ' CYS . 6.9 mt -101.87 -49.37 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -105.26 -40.89 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.43 36.95 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.08 178.89 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -62.19 153.6 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 30' ' ' ARG . 16.9 mt -122.9 172.59 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -128.02 153.23 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' HG ' ' A' ' 28' ' ' LEU . 9.8 p -56.94 -16.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' HG13 ' A' ' 27' ' ' VAL . 48.2 mt -109.5 -59.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ARG . 29.3 mt-10 -47.72 -56.06 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.592 ' HD3' ' CD2' ' A' ' 37' ' ' PHE . 3.9 ptp180 -34.19 136.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -107.22 96.27 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 m -66.75 89.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.4 t -132.76 112.88 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 61.13 30.8 19.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.93 -30.24 4.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 38' ' ' PHE . 99.0 m-70 -82.77 138.43 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CD2' ' HD3' ' A' ' 30' ' ' ARG . 11.9 m-30 -106.45 134.19 49.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -134.63 161.04 36.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 25' ' ' LEU . 16.9 m170 -75.67 142.31 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HA ' HD11 ' A' ' 31' ' ' LEU . 55.0 mtm180 -58.65 -23.02 58.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.2 t -86.88 -46.08 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.691 ' HB3' HD13 ' A' ' 20' ' ' LEU . 98.7 m -63.82 -46.59 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' HD13 ' A' ' 31' ' ' LEU . 1.9 t80 -67.39 92.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 83.9 mtt180 -127.97 178.03 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.84 164.37 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.4 t60 -102.49 -0.09 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.629 HG22 ' CE1' ' A' ' 71' ' ' HIS . 6.8 m -120.82 -37.98 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.1 p -117.73 -5.56 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 65.4 mt-10 51.72 47.49 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.74 146.58 24.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -55.0 100.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 43' ' ' PHE . 83.2 mt -73.45 99.5 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.455 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.2 m95 -71.46 156.26 91.71 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 16.2 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -148.82 34.2 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.751 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.47 49.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -158.1 159.81 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -150.83 154.5 37.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 19.8 tt0 -109.86 110.3 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 16.8 t-80 -68.46 123.1 86.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.613 0.721 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.92 -51.9 3.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -99.07 -52.52 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.7 35.62 1.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 58.4 m-70 -125.33 179.76 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 70.4 m-85 -112.65 123.44 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 29.4 m-85 -129.34 162.83 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.92 172.1 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.751 HD11 ' HA2' ' A' ' 56' ' ' GLY . 28.0 mt -80.52 15.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -125.89 -11.24 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.9 m170 -123.97 -19.53 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -50.25 115.66 5.7 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.611 0.72 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.76 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' CYS . 19.8 mt -129.92 132.47 46.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -36.79 153.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.2 -45.42 18.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 42' ' ' CYS . 3.0 mp -53.86 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 p -102.12 -48.65 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 81.52 53.99 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -92.04 -62.57 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -171.58 126.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 39' ' ' HIS . 51.3 mt -102.68 146.11 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.6 t80 -114.94 152.82 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.45 -25.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.2 mt -108.55 -72.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LEU . 17.9 mt-10 -33.37 -37.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.6 ptp180 -61.03 132.66 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -117.39 99.61 7.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.19 113.77 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 40.3 t -133.12 106.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 54.7 40.92 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.59 -35.48 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -87.17 132.89 33.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -96.01 157.33 15.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 93.2 m-85 -146.12 154.03 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CD2' HD23 ' A' ' 25' ' ' LEU . 11.6 m170 -70.36 139.24 51.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.92 -15.55 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.8 t -99.76 -48.64 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.904 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m -56.73 -51.66 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 41' ' ' SER . 95.7 mtt180 -139.51 169.01 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.1 t -55.04 162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 30.7 t60 -100.15 0.17 40.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.661 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.8 m -122.74 -40.84 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.23 -5.78 14.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 17.9 mt-10 50.85 50.07 19.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.36 139.87 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 m -49.41 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.43 96.88 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.7 m95 -66.36 156.16 86.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.7 Cg_endo -69.77 15.64 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.14 27.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.45 49.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -158.16 163.5 37.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -152.92 154.05 34.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 16.3 tt0 -108.04 111.6 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.524 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 t-80 -66.03 129.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.39 12.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -42.63 -82.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.65 -59.08 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.61 37.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.6 m-70 -123.71 -175.3 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 94.8 m-85 -114.33 123.91 50.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.0 m-85 -128.24 163.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 26.8 p -75.45 171.69 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.29 14.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -126.22 -8.38 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.661 ' CE1' HG22 ' A' ' 47' ' ' THR . 25.8 m170 -126.76 -20.15 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.7 tp -49.73 114.82 4.48 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.4 Cg_endo -69.71 -177.16 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.379 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 24' ' ' HIS . 2.8 mt -140.74 137.99 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.663 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 6.0 t -40.53 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.94 -41.14 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.64 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 104.05 41.07 2.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.86 174.45 5.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.4 t60 -58.45 145.17 39.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD23 ' CD2' ' A' ' 39' ' ' HIS . 45.8 mt -111.65 148.41 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -106.33 169.62 8.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.03 -20.06 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -117.82 15.16 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -126.65 -27.13 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -70.38 138.98 51.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.28 107.44 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.7 p -69.61 102.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 87.4 t -126.18 96.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.32 27.49 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.37 -35.47 4.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -79.49 151.51 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' CB ' HD13 ' A' ' 25' ' ' LEU . 69.5 m-85 -111.22 139.65 46.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 79.7 m-85 -134.59 151.06 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 35.1 m80 -74.04 134.26 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -43.1 -33.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.472 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 89.9 p -81.02 -58.07 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 7.5 m -47.03 -54.67 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -48.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' NE ' ' O ' ' A' ' 41' ' ' SER . 69.2 mtt-85 -142.62 170.77 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.86 164.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 34.6 t60 -103.43 2.79 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.7 m -123.37 -35.11 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.34 -5.41 9.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 16.4 mt-10 52.88 47.51 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.59 131.42 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.4 m -40.94 104.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.95 95.29 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.428 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.2 m95 -63.67 155.84 74.57 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.47 27.34 1.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -162.15 47.97 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -158.35 167.66 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -160.98 154.33 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.2 tt0 -106.35 105.78 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.7 t-80 -60.04 122.76 68.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -43.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.49 -55.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.5 -65.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.23 35.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.7 m-70 -121.54 173.56 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 96.4 m-85 -107.95 125.92 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 33.7 m-85 -134.98 163.94 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -75.09 169.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 56' ' ' GLY . 36.4 mt -78.01 14.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -122.85 -19.72 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.8 m170 -114.76 -20.06 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.4 tp -46.85 116.57 4.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.02 2.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.331 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -129.71 138.64 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' HD11 ' A' ' 25' ' ' LEU . 43.3 t -40.64 161.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.28 -36.98 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' HH21 ' A' ' 44' ' ' ARG . 0.9 OUTLIER -65.42 -63.36 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.44 -49.3 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 97.92 32.08 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -101.62 -177.67 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -66.44 144.05 56.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 mt -113.0 145.97 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -104.35 145.21 30.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG13 ' HG ' ' A' ' 28' ' ' LEU . 13.3 p -41.51 -27.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HG ' HG13 ' A' ' 27' ' ' VAL . 96.2 mt -101.88 -50.18 3.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.14 55.9 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -150.7 129.9 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.17 105.78 14.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.54 106.32 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.449 HG12 ' OD1' ' A' ' 34' ' ' ASN . 16.9 t -133.48 129.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' OD1' HG12 ' A' ' 33' ' ' VAL . 13.5 m120 47.4 25.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.09 -33.59 5.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.13 147.65 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 96.7 m-85 -102.39 150.69 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.2 m-85 -147.0 146.85 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 17.8 m170 -64.59 166.73 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -74.37 -18.96 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 t -99.35 -47.69 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 m -55.84 -37.54 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 16.5 t80 -73.47 101.24 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -159.54 167.87 27.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 14.1 t -47.37 163.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.3 t60 -104.41 -4.63 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.487 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.6 m -117.09 -30.66 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 18.9 p -120.53 -7.32 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 28.3 mt-10 55.81 29.71 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 125.09 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -39.76 114.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 92.4 mt -80.94 102.29 10.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.8 m95 -71.03 154.83 93.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.8 Cg_endo -69.78 11.48 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.69 37.93 1.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.99 52.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -158.53 169.25 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -158.66 150.36 21.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 29.1 tt0 -102.46 116.67 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 30.3 t-80 -76.81 122.54 86.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.8 Cg_endo -69.71 -40.45 5.38 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -33.98 -51.61 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.9 -50.95 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.94 41.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 26.8 m-70 -127.81 -174.64 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 95.4 m-85 -118.75 123.15 44.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 9.7 m-85 -129.25 164.72 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.34 169.3 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -79.09 15.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -125.1 -16.39 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' THR . 42.2 m170 -118.51 -19.92 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -46.99 113.93 2.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 74' ' ' GLN . 6.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.882 0.373 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -127.69 137.33 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 19' ' ' ALA . 6.8 t -40.41 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -95.29 -42.0 8.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.84 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -101.65 -49.19 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 87.06 51.15 3.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.32 -71.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -173.14 127.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 37' ' ' PHE . 17.3 mt -101.34 146.16 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 40.5 t80 -119.66 173.28 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 45.8 t -57.34 -44.08 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 mt -105.74 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -134.98 7.42 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -110.75 129.49 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.3 mp -108.0 99.73 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.91 111.04 4.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 58.0 t -130.13 106.56 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 54.37 36.31 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 -38.82 2.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -75.26 176.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 25' ' ' LEU . 91.4 m-85 -136.5 152.83 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 36.3 m-85 -147.07 159.09 44.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 23.5 m80 -78.71 140.83 38.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' LEU . 60.0 mtt180 -50.65 -27.67 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -86.52 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.656 ' HB3' HD22 ' A' ' 20' ' ' LEU . 32.1 m -47.27 -52.85 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 5.0 t80 -49.23 96.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 65.1 mtt180 -135.53 166.59 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.61 162.65 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.6 t60 -99.06 1.65 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 14.5 m -123.19 -43.29 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.89 -5.87 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 63.0 mt-10 50.79 51.55 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.5 133.24 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.3 m -43.55 102.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 75.0 mt -70.81 94.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.446 ' C ' ' H ' ' A' ' 55' ' ' GLY . 29.9 m95 -60.96 154.85 57.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 0.0 110.968 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.74 17.12 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -153.75 30.68 0.75 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.57 49.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.31 162.43 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -158.64 160.68 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.52 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -109.28 137.43 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 24.4 t-80 -91.59 126.58 53.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -30.93 21.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.23 13.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.33 -56.87 3.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.58 25.52 3.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 96.1 m-70 -118.9 176.83 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.663 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 71.3 m-85 -109.0 125.14 51.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 31.3 m-85 -129.45 163.86 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -73.94 170.92 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -79.23 15.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -126.96 -11.89 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.4 m170 -123.72 -19.53 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.1 tp -52.01 116.6 8.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.636 0.731 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.79 -170.59 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.38 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' CYS . 14.9 mt -125.88 137.08 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' LEU . 47.8 t -32.06 126.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.095 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -84.98 18.08 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 42' ' ' CYS . 7.7 mt -119.74 -48.46 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.22 -48.46 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.96 42.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -121.21 173.49 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -61.76 147.73 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' CB ' ' A' ' 37' ' ' PHE . 39.5 mt -112.95 149.0 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -103.65 -178.14 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.08 -53.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.85 27.67 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 31' ' ' LEU . 30.7 mt-10 -134.69 -37.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -61.52 131.73 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 40' ' ' ARG . 7.1 mp -106.52 100.48 10.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.16 101.99 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 ' HE2' ' A' ' 43' ' ' PHE . 61.9 t -127.58 103.68 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 59.91 34.63 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.05 -33.6 4.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -84.39 136.0 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CB ' HD13 ' A' ' 25' ' ' LEU . 74.6 m-85 -99.86 150.81 21.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 1.095 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 13.9 m-85 -146.97 163.98 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.1 m170 -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.679 ' CG ' HD11 ' A' ' 31' ' ' LEU . 21.7 mtp180 -78.28 -7.51 57.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 13.6 t -107.27 -45.77 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD13 ' A' ' 20' ' ' LEU . 68.9 m -61.2 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.761 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -54.45 84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' CYS . 84.0 mtt180 -130.69 173.96 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 t -57.58 164.67 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 53.5 t60 -100.65 -4.2 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.645 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.8 m -119.84 -39.55 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -113.62 -4.95 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 88.6 mt-10 48.1 46.74 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 133.47 40.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 m -42.62 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.71 93.85 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.441 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -66.04 157.12 82.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.9 Cg_endo -69.73 15.55 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.29 35.03 1.07 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.55 49.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -158.5 168.33 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -152.44 153.89 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 32.2 tt0 -111.96 103.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.537 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 22.8 t-80 -60.83 126.5 85.62 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.56 0.695 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.75 -43.3 2.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.03 -68.26 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.01 -56.2 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.52 36.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.4 m-70 -121.3 -175.84 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 87.7 m-85 -116.46 124.62 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 23.8 m-85 -131.28 162.26 30.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -74.53 170.94 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.76 16.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -126.78 -13.86 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.645 ' CE1' HG22 ' A' ' 47' ' ' THR . 32.5 m170 -121.87 -18.41 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -51.38 117.99 10.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.81 179.75 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -131.69 114.44 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.856 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -160.16 160.17 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.8 84.24 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -136.47 106.55 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.386 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -153.17 109.07 3.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.63 69.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -107.64 154.11 21.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -122.64 104.18 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -147.61 170.63 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.65 169.98 22.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.88 -54.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.78 -178.13 20.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 159.38 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.72 51.98 4.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -127.23 50.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 24' ' ' HIS . 1.3 mt -133.29 135.62 44.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 40.6 t -41.01 162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.589 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.92 -36.68 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.2 mp -56.18 -59.9 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.5 p -98.96 -52.83 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.26 37.14 2.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -104.14 177.8 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' HA ' HD23 ' A' ' 17' ' ' LEU . 15.3 t-80 -64.45 146.2 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' A' ' 37' ' ' PHE . 22.5 mt -116.12 146.37 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.99 172.24 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG23 ' HG ' ' A' ' 28' ' ' LEU . 17.2 m -77.34 -20.45 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.696 ' HG ' HG23 ' A' ' 27' ' ' VAL . 15.6 mt -118.51 13.18 13.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -124.7 -22.97 4.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 -74.52 143.98 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.22 104.77 11.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.9 p -69.2 96.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 96.2 t -123.42 101.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.423 ' OD1' HG12 ' A' ' 33' ' ' VAL . 6.7 m120 62.6 30.51 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.51 -31.21 7.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -83.61 147.37 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.709 ' HB3' HD13 ' A' ' 25' ' ' LEU . 68.2 m-85 -107.07 144.69 33.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 44.1 m-85 -139.62 154.06 47.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 37.6 m80 -75.82 140.65 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -50.71 -28.73 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 39.6 m -84.91 -53.04 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.757 ' HB3' HD22 ' A' ' 20' ' ' LEU . 5.3 m -50.93 -56.77 10.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -48.97 101.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 73.8 mtt180 -148.97 173.18 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 20.1 t -63.06 166.76 5.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 14.4 t60 -101.89 -7.15 22.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.9 m -118.98 -30.56 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 30.6 p -123.22 0.16 8.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 14.8 pt-20 40.32 44.98 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.28 130.94 41.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -41.22 103.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.35 95.06 3.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -66.97 154.22 92.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 79.62 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.301 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.46 -7.37 1.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.71 43.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -157.58 166.62 32.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -149.85 148.1 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.9 tt0 -103.57 96.73 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 33.4 t-80 -48.14 133.89 12.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.77 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.21 -89.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -61.14 2.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.09 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 49.3 m-70 -114.24 -174.32 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 98.0 m-85 -116.26 122.05 43.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 19.6 m-85 -131.22 158.14 41.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -69.45 170.65 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 mt -78.93 13.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -123.55 -14.39 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 40.4 m170 -121.82 -17.54 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -51.19 117.06 8.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.73 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.333 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' THR . 28.2 mm-40 -160.97 129.47 4.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' GLN . 73.8 p -34.0 138.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -97.46 128.93 44.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' GLY . 15.2 m -153.47 154.06 33.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' SER . . . -37.01 119.5 0.6 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.3 Cg_endo -69.75 -39.49 6.46 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . 7.1 m 35.13 40.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.0 m -95.48 144.61 25.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.506 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 58.59 43.98 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -91.6 165.27 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 140.14 3.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -172.78 134.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -164.85 147.6 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.83 102.76 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.34 158.73 44.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -161.0 149.61 16.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -135.39 105.83 6.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -98.35 149.92 22.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -148.74 132.17 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.8 135.06 3.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.97 166.78 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.91 37.32 3.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.2 m-20 -130.16 41.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' CYS . 7.1 mt -132.26 136.91 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.2 t -35.69 150.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.836 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.75 -26.12 15.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' ' 38' ' ' PHE . 2.9 mm? -71.68 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -92.28 -50.63 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.6 36.27 2.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -109.28 176.74 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.92 149.35 36.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 37' ' ' PHE . 72.0 mt -113.68 147.85 37.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.544 ' CE1' HG22 ' A' ' 27' ' ' VAL . 17.3 t80 -109.97 155.66 21.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG22 ' CE1' ' A' ' 26' ' ' TYR . 16.2 m -47.46 -23.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' HG23 ' A' ' 27' ' ' VAL . 54.0 mt -108.67 -42.97 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.05 48.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' NH1' ' SG ' ' A' ' 32' ' ' CYS . 25.9 ptt85 -146.31 133.2 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CD ' ' A' ' 40' ' ' ARG . 8.6 mp -115.79 104.86 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' SG ' ' NH1' ' A' ' 30' ' ' ARG . 1.9 m -67.4 98.69 0.66 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 93.5 t -123.67 99.76 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 54.81 38.75 30.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.67 -38.12 3.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -76.87 138.29 39.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.49 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 71.1 m-85 -110.61 146.53 35.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.836 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -141.76 164.24 30.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -76.51 148.49 37.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.55 ' CD ' HD11 ' A' ' 31' ' ' LEU . 24.5 mmm-85 -65.37 -12.78 55.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.509 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.7 m -99.54 -50.13 4.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.4 m -58.92 -50.63 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -50.99 103.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 41' ' ' SER . 91.3 mtt-85 -150.76 171.06 17.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.5 t -56.03 162.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 31.5 t60 -99.03 -0.57 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 9.2 m -122.27 -42.64 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.99 -4.6 15.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 44.9 mt-10 48.63 53.0 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.78 136.36 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 m -45.11 104.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.88 94.83 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -67.59 154.69 92.79 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 79.66 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.19 -15.91 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.675 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -119.06 44.39 1.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -158.25 164.6 36.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 72' ' ' LEU . 3.5 mm-40 -151.5 148.96 28.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 33.8 tt0 -104.97 102.78 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 44.9 t-80 -54.65 132.82 64.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.79 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -36.7 -91.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.15 -58.38 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.98 44.21 0.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 75.6 m-70 -125.93 -178.99 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 96.4 m-85 -113.36 122.99 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 30.0 m-85 -130.92 161.93 30.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.45 171.1 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD11 ' HA2' ' A' ' 56' ' ' GLY . 11.1 mt -77.86 12.81 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -124.66 -10.07 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.4 m170 -126.2 -17.38 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -54.03 118.43 15.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.74 -178.16 2.2 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -139.66 109.37 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -55.6 108.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -58.28 -48.27 80.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -53.21 139.88 27.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.8 174.86 19.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.67 23.81 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.4 p -153.32 169.31 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -78.46 157.25 29.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.496 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -171.13 132.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -146.69 112.18 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.35 161.3 20.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -119.86 -47.83 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -160.91 130.51 4.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.1 46.42 1.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -85.51 105.1 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -56.88 -50.51 72.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -172.49 168.33 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -115.84 -49.41 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.59 150.45 47.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.27 52.92 0.81 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.432 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.33 163.32 18.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.25 56.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 t70 -126.54 62.67 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 16' ' ' ASP . 5.9 mt -129.91 130.6 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 17' ' ' LEU . 37.6 t -33.19 147.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -91.86 -21.73 20.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mp -81.94 -66.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -79.74 -49.68 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.8 37.02 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -111.42 -178.89 3.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -62.99 153.44 33.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 39' ' ' HIS . 34.9 mt -123.49 158.89 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -113.55 153.3 29.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.81 -34.23 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -95.19 -59.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ARG . 48.8 mt-10 -45.03 -58.42 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HA ' HD22 ' A' ' 25' ' ' LEU . 28.2 ptt180 -36.92 131.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' PHE . 2.3 tp -104.63 101.37 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.7 p -67.7 103.7 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 73.7 t -132.87 105.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 61.31 29.25 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.1 -34.43 5.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 57.3 m-70 -77.08 158.94 30.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CB ' HD13 ' A' ' 25' ' ' LEU . 98.5 m-85 -120.95 140.33 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.806 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -145.66 161.52 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CD2' HD23 ' A' ' 25' ' ' LEU . 29.9 m170 -76.77 122.72 25.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -39.13 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 4.5 t -86.13 -52.58 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.2 m -52.68 -56.52 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -52.05 101.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' NE ' ' O ' ' A' ' 41' ' ' SER . 74.6 mtt180 -141.54 -179.63 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 16.8 t -62.74 167.07 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 67' ' ' TYR . 14.5 t60 -103.47 -7.89 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.3 m -117.88 -28.61 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.446 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.0 p -126.35 -0.17 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG2' ' C ' ' A' ' 48' ' ' CYS . 11.1 pt-20 41.92 45.34 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.69 130.05 42.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.0 m -39.97 98.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.94 97.08 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 8.7 m95 -62.45 155.36 68.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.708 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 8.51 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.93 26.52 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.19 48.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.482 ' CD1' ' O ' ' A' ' 53' ' ' TRP . 3.3 p90 -158.03 170.15 22.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' O ' HD13 ' A' ' 72' ' ' LEU . 23.7 mt-10 -154.58 141.3 19.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 23.7 tt0 -98.39 110.8 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 34.0 t-80 -65.82 126.17 91.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.813 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -29.31 24.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -45.8 -76.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -79.4 -58.62 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.42 38.03 0.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 25.7 m-70 -122.19 -173.88 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 84.0 m-85 -119.38 124.81 47.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 12.1 m-85 -130.93 159.72 36.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.4 171.48 9.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.82 15.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -127.18 -9.69 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CE1' HG22 ' A' ' 47' ' ' THR . 37.5 m170 -125.37 -19.76 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.1 tp -48.95 118.71 7.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.56 3.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -154.11 143.11 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.5 p -40.94 158.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -118.88 109.76 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.4 m -67.87 83.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.76 119.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.11 7.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.7 m -127.53 112.78 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 t -151.4 140.34 21.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.49 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -121.89 152.46 39.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 m -141.18 164.79 29.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.49 140.72 11.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -154.29 153.26 31.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -165.75 167.58 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.23 -166.89 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -175.04 129.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -166.63 114.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -160.42 129.77 5.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -137.53 155.77 48.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.62 -45.0 76.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.27 -102.06 0.89 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.1 116.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.14 64.96 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.7 p-10 -99.13 37.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' CYS . 2.0 mt -126.42 134.32 51.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' LEU . 54.1 t -37.3 154.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.27 -29.1 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' CB ' ' HB3' ' A' ' 42' ' ' CYS . 3.9 mm? -65.67 -54.43 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.22 -50.43 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 106.35 42.1 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -116.59 -177.35 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -61.62 157.48 17.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 37' ' ' PHE . 69.2 mt -124.96 144.25 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -118.32 171.36 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.8 -61.72 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -80.42 5.51 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -130.1 55.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -162.9 133.09 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 40' ' ' ARG . 8.1 mp -114.17 105.48 13.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.8 p -71.75 91.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.445 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 49.0 t -121.17 120.32 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 48.1 36.57 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.61 -28.86 5.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 43.5 m-70 -80.76 146.22 31.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' HD13 ' A' ' 25' ' ' LEU . 79.7 m-85 -113.34 145.51 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.749 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -146.67 160.75 41.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -72.71 150.32 43.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 31' ' ' LEU . 40.7 mtp180 -64.49 -15.89 61.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 4.8 m -98.93 -49.93 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 81.4 m -55.12 -48.41 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 48.7 t80 -56.38 102.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 60.4 mtt180 -147.12 171.81 14.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.8 t -51.82 164.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.1 t60 -102.61 -0.94 31.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.643 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.2 m -121.74 -32.55 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.98 -7.95 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 9.1 mp0 52.63 50.59 17.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.11 137.64 39.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.3 m -47.45 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 89.9 mt -69.33 89.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -58.76 154.0 38.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 82.25 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.262 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.4 -1.23 2.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.08 44.33 1.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -158.08 173.66 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -157.76 150.72 23.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.4 tt0 -106.8 104.16 13.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.546 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.2 t-80 -58.91 127.42 83.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.42 18.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -43.91 -78.57 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.76 -53.24 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.21 39.57 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 8.7 m-70 -126.42 -174.87 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 73.8 m-85 -116.93 126.42 52.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 19.7 m-85 -132.62 164.79 25.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.8 p -76.72 170.16 16.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.13 12.08 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -122.43 -10.5 8.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.643 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.7 m170 -125.23 -19.24 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.6 117.65 9.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 52.9 Cg_endo -69.81 -180.0 3.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -154.07 111.73 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ASP . 5.2 t -80.32 -30.04 38.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' THR . 4.2 p-10 36.08 45.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.2 t 37.26 54.12 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.27 158.33 47.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 107.96 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.7 m -129.46 108.35 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p -148.03 162.17 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.457 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -129.13 81.82 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -140.05 155.14 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.54 96.95 1.57 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -149.73 165.06 33.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.902 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -156.6 147.0 21.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.97 137.43 4.55 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -135.92 144.04 45.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -122.04 175.82 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -128.12 162.21 27.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -124.6 151.55 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.03 153.74 21.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.18 -58.79 0.58 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -106.77 116.97 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.56 47.33 3.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.447 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.492 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 p30 -97.4 47.24 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 16' ' ' ASP . 18.8 mt -134.45 135.64 42.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 29.2 t -38.67 156.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.846 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.42 -39.37 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 42' ' ' CYS . 1.2 mp -58.4 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -106.65 -50.54 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 88.13 50.05 3.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -88.49 -70.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -169.68 128.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 30' ' ' ARG . 20.3 mt -103.49 158.77 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -130.18 168.49 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.32 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.41 8.45 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -123.21 -44.36 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.736 ' HA ' HD22 ' A' ' 25' ' ' LEU . 13.5 ptp180 -46.69 144.57 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tp -127.92 98.02 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.56 116.16 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.593 HG12 ' OD1' ' A' ' 34' ' ' ASN . 39.4 t -133.38 96.72 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.593 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m120 67.31 33.25 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.79 -37.84 3.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.58 174.49 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' A' ' 25' ' ' LEU . 93.9 m-85 -130.1 148.1 51.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.846 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 4.4 m-85 -145.74 165.47 28.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 27.9 m170 -80.12 121.94 26.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' HIS . 11.2 mmm-85 -38.18 -26.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.4 m -88.6 -56.54 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.638 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.0 m -47.14 -47.92 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -57.27 102.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -147.43 175.51 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 30.3 t -56.95 165.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.601 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 29.5 t60 -103.4 -0.17 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.9 m -120.72 -35.2 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.8 p -120.83 -4.51 9.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 50.45 49.83 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.29 137.88 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.6 m -46.16 100.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.1 mt -72.8 97.31 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.4 m95 -66.95 155.28 90.47 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.72 30.93 1.02 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -164.76 44.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -158.38 167.12 30.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.34 . . . . 0.0 110.933 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -154.22 150.52 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 37.6 tt0 -101.64 107.25 18.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 15.0 t-80 -64.48 124.34 85.61 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.698 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.95 11.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -38.14 -67.47 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -91.53 -45.35 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.32 1.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 91.0 m-70 -123.39 -175.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 63.2 m-85 -114.76 125.33 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 35.8 m-85 -135.18 160.34 38.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.1 p -74.93 172.42 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.21 13.92 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.01 -10.39 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 34.9 m170 -124.85 -19.65 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 tp -49.03 115.4 4.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.63 0.729 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.9 Cg_endo -69.79 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -151.24 111.96 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 t -44.54 165.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -169.31 124.15 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t 53.27 42.46 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -147.22 84.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 117.25 4.97 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -62.88 137.49 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.476 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -170.49 163.56 8.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -163.54 175.33 10.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.29 -168.77 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 p -166.71 158.31 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -127.42 153.31 46.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.0 140.81 12.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -152.48 109.6 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -131.63 82.4 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.11 135.71 35.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -173.92 137.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.24 148.42 27.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.74 122.44 4.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.88 126.55 33.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.93 48.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 25' ' ' LEU . 1.1 m-20 -126.1 45.58 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.01 136.24 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 49.8 t -43.17 152.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.764 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.51 -26.97 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.7 mm? -63.25 -53.94 45.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.55 -52.9 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.64 33.63 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -103.13 173.38 6.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -66.51 144.61 56.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 39' ' ' HIS . 18.2 mt -110.35 157.74 19.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 77.1 t80 -125.94 167.92 14.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 38.7 t -43.12 -61.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.172 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -80.71 -29.55 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -88.98 57.05 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 ptt85 -162.84 125.6 2.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 40' ' ' ARG . 5.0 mp -108.03 97.88 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.7 p -69.26 95.4 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.09 124.73 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 49.39 30.67 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.82 -28.37 7.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -86.62 140.25 30.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 25' ' ' LEU . 13.3 m-85 -103.07 147.48 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.764 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 5.0 m-85 -146.94 156.76 43.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 38.6 m80 -71.96 154.14 41.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.462 ' HA ' HD11 ' A' ' 31' ' ' LEU . 17.9 mmt180 -69.15 -21.41 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.503 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 3.0 p -93.8 -40.5 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 39' ' ' HIS . 73.7 m -63.83 -53.28 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -54.8 96.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' NE ' ' O ' ' A' ' 41' ' ' SER . 84.8 mtt180 -139.51 172.75 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 49' ' ' GLU . 19.4 t -54.99 165.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 25.0 t60 -103.52 -3.76 24.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.0 m -119.46 -32.51 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.9 p -122.17 -6.73 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 5.5 mp0 50.5 51.2 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.33 134.24 47.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -41.58 102.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.47 98.39 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -68.14 155.84 91.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 7.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.63 38.03 1.48 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -177.07 49.73 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -158.11 162.75 38.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.893 0.377 . . . . 0.0 110.926 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' O ' HD13 ' A' ' 72' ' ' LEU . 26.8 mt-10 -153.38 145.62 23.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 13.7 tt0 -102.11 107.98 19.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 17.1 t-80 -59.91 130.88 88.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -19.93 35.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.16 -98.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -42.36 79.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.96 43.48 1.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 87.5 m-70 -126.76 -179.7 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 59' ' ' GLN . 88.8 m-85 -110.52 122.88 48.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.6 m-85 -127.39 163.82 23.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -74.83 172.7 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 56' ' ' GLY . 27.4 mt -82.06 16.34 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -127.25 -10.0 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.5 m170 -124.04 -21.3 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 58' ' ' GLU . 5.2 tp -49.16 115.25 4.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.654 0.74 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.78 176.2 7.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -152.39 135.2 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.8 p -56.88 154.56 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -126.26 -44.34 1.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 t -96.36 159.74 14.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.14 -174.54 39.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 124.6 11.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.307 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p 48.62 41.95 18.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -45.42 -55.55 5.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.489 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 57.5 p 36.17 43.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -154.63 154.69 33.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.49 179.02 47.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 t -173.3 110.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 p -168.88 159.68 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.93 71.25 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -149.82 108.44 3.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 4.1 p80 -147.7 105.81 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -94.56 91.74 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' ' CD ' ' A' ' 11' ' ' GLU . 1.2 pp20? -119.17 39.65 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.98 80.3 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.28 124.02 1.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLY . . . -92.36 36.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' ALA . . . 37.02 52.61 1.57 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 25' ' ' LEU . 2.8 m-20 -85.21 42.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' CYS . 3.4 mt -133.29 134.17 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' LEU . 43.8 t -34.35 147.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -90.92 -24.56 20.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.8 mp -73.7 -69.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -80.43 -51.37 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.19 42.96 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.29 175.4 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.448 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.0 t60 -54.22 160.42 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 37' ' ' PHE . 50.3 mt -129.29 141.87 50.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -91.81 171.9 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.92 -1.26 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -123.95 -37.78 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 31.9 mt-10 -71.93 -52.11 18.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' GLU . 25.2 ptt180 -37.16 134.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -109.89 95.4 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.63 92.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.5 t -133.22 115.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.82 25.61 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.3 -29.35 8.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.2 m-70 -81.64 153.73 26.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.799 ' HB3' HD13 ' A' ' 25' ' ' LEU . 51.1 m-85 -116.48 132.18 56.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 2.4 m-85 -132.14 162.68 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.49 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.3 m170 -79.1 142.45 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HA ' HD11 ' A' ' 31' ' ' LEU . 18.7 mmt180 -61.7 -10.05 7.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -104.07 -36.45 7.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.862 ' HB3' HD22 ' A' ' 20' ' ' LEU . 10.3 m -68.6 -55.02 12.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -48.94 95.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 97.8 mtt180 -138.32 173.66 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.1 t -60.83 165.83 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.3 t60 -103.3 -4.42 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.649 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.7 m -119.99 -28.77 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.4 p -127.01 -2.39 6.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 10.4 pt-20 44.92 51.06 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.05 130.6 48.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.4 ' HA ' ' HG2' ' A' ' 44' ' ' ARG . 39.6 m -38.96 101.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.75 106.79 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -79.7 155.48 75.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 6.96 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.91 29.79 2.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.436 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.2 49.8 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -158.24 166.15 33.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -161.15 154.43 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 53.1 tt0 -100.11 124.17 45.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.535 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 19.1 t-80 -77.43 125.37 86.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -14.52 36.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.82 -82.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.52 -42.43 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.67 1.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 73.0 m-70 -118.9 -177.47 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 80.9 m-85 -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 13.0 m-85 -129.11 159.31 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -69.71 169.97 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.436 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.4 mt -80.06 15.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -125.2 -11.76 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.0 m170 -122.41 -21.52 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tp -47.63 112.09 1.97 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.2 Cg_endo -69.81 175.63 7.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' THR . 20.7 mm-40 -150.83 109.9 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . 67.7 p -37.26 116.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.35 43.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -66.26 148.5 51.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.77 70.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -47.27 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 p -155.34 141.44 18.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.2 p -50.36 117.01 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.3 m -154.41 108.12 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.932 0.396 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.66 86.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -126.72 41.36 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.807 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -139.65 171.61 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.37 154.68 8.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -160.96 148.87 15.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -128.56 127.78 42.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -113.12 144.28 42.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -86.83 170.42 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.29 36.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.3 -100.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.5 108.9 15.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.54 38.01 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.554 ' C ' HD12 ' A' ' 25' ' ' LEU . 6.5 t70 -125.12 62.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -127.12 134.13 50.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 25.6 t -39.5 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -94.9 -38.41 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.1 mp -57.71 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 p -79.11 -51.94 8.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 105.56 36.47 2.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -108.14 174.56 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.4 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -57.55 153.09 13.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 37' ' ' PHE . 14.8 mt -117.63 175.74 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -133.89 179.45 6.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -76.31 -54.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.92 26.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -133.99 -51.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 25' ' ' LEU . 12.9 ptt180 -45.75 144.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -114.3 97.77 6.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.4 p -68.77 89.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.62 130.97 56.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.165 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 48.37 44.1 19.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.31 21.9 62.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -129.0 159.72 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.729 ' HB3' HD13 ' A' ' 25' ' ' LEU . 71.3 m-85 -117.71 129.38 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.759 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 27.0 m-85 -130.77 161.14 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 32.8 m80 -81.78 131.56 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 31' ' ' LEU . 31.7 mmm-85 -50.33 -17.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -93.86 -45.91 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.758 ' HB3' HD22 ' A' ' 20' ' ' LEU . 4.2 m -59.72 -55.32 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -49.43 93.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 82.4 mtt180 -136.75 169.78 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.19 166.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 23.5 t60 -103.03 -5.49 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.65 HG22 ' CE1' ' A' ' 71' ' ' HIS . 11.2 m -120.23 -28.78 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' C ' ' HG2' ' A' ' 49' ' ' GLU . 29.4 p -125.07 -1.54 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 11.8 pt-20 43.57 45.23 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.16 131.91 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.6 m -40.93 102.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.38 100.92 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 3.4 m95 -70.45 155.39 93.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.516 0.674 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.8 7.47 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.87 34.4 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.74 49.07 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.427 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.36 164.19 36.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HB2' HD22 ' A' ' 72' ' ' LEU . 56.7 mt-10 -155.5 146.17 22.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 43.8 tt0 -99.49 113.15 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -68.81 124.8 91.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -42.48 3.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.89 -60.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.33 -54.83 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.74 31.9 1.28 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 30.6 m-70 -116.86 178.23 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.832 0.348 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 74.4 m-85 -114.12 121.68 44.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 17.3 m-85 -129.21 161.54 29.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.0 p -72.05 169.15 16.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 56' ' ' GLY . 15.8 mt -78.01 15.54 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -124.12 -18.33 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 47' ' ' THR . 38.3 m170 -118.12 -18.79 9.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 58' ' ' GLU . 5.9 tp -50.89 114.56 4.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -173.67 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -148.08 -177.84 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.3 p -90.63 48.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.03 -42.17 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 m -115.22 150.56 35.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 58.31 85.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.08 3.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.366 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -119.62 87.52 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.807 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -102.07 147.85 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.504 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -69.05 -43.6 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 62.89 42.19 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.3 167.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -156.74 106.56 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -101.35 -50.72 3.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.76 140.38 11.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.64 122.42 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -101.28 139.46 36.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -140.11 120.07 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -165.93 105.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.89 167.34 6.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.53 -146.02 13.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.32 128.04 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.16 78.1 1.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.74 44.66 2.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' CYS . 6.8 mt -132.8 134.25 44.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 42.0 t -36.42 144.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -92.25 -23.23 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD23 ' HD2' ' A' ' 38' ' ' PHE . 3.2 mm? -74.15 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.9 p -93.58 -52.67 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 96.94 38.25 4.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.86 -75.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.514 ' CD2' ' H ' ' A' ' 25' ' ' LEU . 6.8 t60 -163.03 -179.36 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.759 HD13 ' CB ' ' A' ' 37' ' ' PHE . 32.4 mt -148.11 162.6 39.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -118.6 -176.18 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.2 t -84.48 -44.93 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.17 25.33 8.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -58.17 135.6 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.1 mp -101.05 99.06 9.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.5 p -67.86 96.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 90.6 t -126.74 106.54 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 61.72 29.98 18.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 -28.06 10.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.4 148.67 25.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.759 ' CB ' HD13 ' A' ' 25' ' ' LEU . 95.1 m-85 -112.97 145.59 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -145.81 163.2 35.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 24' ' ' HIS . 21.4 m170 -79.12 143.55 35.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.847 ' HG2' HD11 ' A' ' 31' ' ' LEU . 75.0 mtt180 -62.88 -16.39 58.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 1.3 t -93.46 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.02 -50.9 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -52.91 99.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 41' ' ' SER . 73.9 mtt180 -139.79 176.46 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.3 t -55.83 164.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 32.4 t60 -101.16 -1.38 34.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.5 m -120.51 -41.11 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.0 p -113.16 -3.56 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 39.6 mt-10 47.94 51.55 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.22 143.4 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -51.9 97.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.03 93.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 7.3 m95 -60.06 155.86 41.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.552 0.691 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.3 Cg_endo -69.84 14.29 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.02 30.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.455 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.31 47.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -158.17 168.95 25.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -156.16 151.09 26.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 20.5 tt0 -104.63 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 12.2 t-80 -70.5 120.94 81.79 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.582 0.706 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -30.55 21.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.51 -53.84 4.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.89 -49.45 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.98 40.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 86.4 m-70 -128.23 -177.16 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 88.9 m-85 -116.16 125.75 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 26.5 m-85 -132.48 159.73 38.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.6 p -72.34 171.43 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 mt -78.98 13.49 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -124.17 -12.53 7.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 47' ' ' THR . 33.7 m170 -123.32 -17.74 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.3 tp -53.79 114.53 6.48 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.74 -171.43 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -154.22 139.26 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.0 p -43.88 -23.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -85.0 78.52 9.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.9 t -140.23 146.25 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.43 162.22 25.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.4 Cg_endo -69.77 129.53 17.74 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.342 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 79' ' ' PRO . 2.2 m -34.54 128.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.5 t -107.63 132.7 53.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.203 -0.776 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -170.84 137.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -170.97 152.3 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.38 128.01 0.95 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -163.34 167.74 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -163.58 178.01 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.69 156.63 27.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -164.01 122.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -137.63 176.59 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -144.4 153.74 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -88.96 139.89 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.6 123.38 24.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.97 -42.63 3.25 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.42 172.94 14.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.46 49.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.65 53.98 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 18' ' ' CYS . 5.6 mt -137.33 134.1 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 49.8 t -37.37 143.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.73 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . . . -92.66 -22.41 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 38' ' ' PHE . 3.6 mm? -71.4 -54.34 11.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.5 p -99.18 -51.28 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 109.11 40.75 1.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -120.15 176.34 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -57.75 154.74 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.671 HD13 ' CB ' ' A' ' 37' ' ' PHE . 13.5 mt -121.12 152.65 38.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -104.87 137.85 42.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -44.77 -23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -103.97 -63.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 31' ' ' LEU . 24.7 mm-40 -44.1 -49.11 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 25' ' ' LEU . 8.8 ptm180 -46.94 150.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 29' ' ' GLU . 5.3 mp -125.42 103.32 7.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.2 p -67.25 93.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -121.46 103.07 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 63.61 26.27 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.47 -32.84 6.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -83.65 148.15 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.816 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.671 ' CB ' HD13 ' A' ' 25' ' ' LEU . 93.3 m-85 -109.61 142.58 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.73 ' HE1' ' HB3' ' A' ' 19' ' ' ALA . 47.8 m-85 -138.6 145.14 40.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.485 ' CD2' HD23 ' A' ' 25' ' ' LEU . 24.2 m170 -67.14 138.56 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.45 ' HG2' HD11 ' A' ' 31' ' ' LEU . 7.2 mmm180 -50.67 -27.51 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 62.9 m -84.05 -55.18 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' ARG . 74.7 m -54.61 -53.91 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.15 92.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 89.5 mtt180 -143.86 170.38 16.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 24.0 t -58.44 165.1 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 26.7 t60 -102.35 -1.95 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.599 HG22 ' CE1' ' A' ' 71' ' ' HIS . 5.4 m -120.47 -36.09 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -119.45 -3.74 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 36.6 mt-10 48.45 51.42 15.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.33 131.65 48.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -41.43 100.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.92 98.81 2.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.419 ' C ' ' H ' ' A' ' 55' ' ' GLY . 9.9 m95 -64.39 154.84 82.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.528 0.68 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.76 13.27 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.705 2.27 . . . . 0.0 112.3 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -150.22 35.29 0.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -171.26 49.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.32 160.71 37.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 110.934 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.4 159.33 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.5 tt0 -113.82 102.83 10.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.6 t-80 -59.47 122.41 64.11 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.554 0.693 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.12 21.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -41.58 -65.26 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.811 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.1 40.78 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 63.3 m-70 -122.37 -175.22 3.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 83.9 m-85 -119.59 120.09 35.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 15.4 m-85 -128.34 160.24 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.5 p -70.17 170.39 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD11 ' HA2' ' A' ' 56' ' ' GLY . 24.7 mt -79.6 16.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -125.14 -20.39 4.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.599 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.7 m170 -113.14 -21.43 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -45.75 116.91 3.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.536 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.0 Cg_endo -69.75 177.3 5.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -149.73 115.11 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 t -67.63 163.39 21.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.86 -47.43 11.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -113.66 137.34 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.03 63.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.8 Cg_endo -69.77 146.52 60.37 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.282 . . . . 0.0 112.373 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 79' ' ' PRO . 21.4 m -35.51 122.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.803 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 177.32 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.463 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m 46.25 42.12 9.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -89.25 145.42 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.64 111.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 p -172.67 115.77 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -128.57 171.82 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.03 77.99 1.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -106.51 126.68 52.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -139.52 123.06 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -144.98 106.95 4.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -81.95 178.12 8.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.41 168.41 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.11 -145.79 20.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.32 139.41 49.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.52 -63.64 5.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 58.16 43.53 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 18' ' ' CYS . 13.8 mt -124.16 131.96 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 17' ' ' LEU . 26.1 t -31.2 122.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.0 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -81.85 12.92 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 38' ' ' PHE . 2.7 mt -112.66 -47.92 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -105.64 -47.99 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.7 33.22 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -108.5 -176.48 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.25 141.13 43.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 47.7 mt -101.57 167.33 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -136.6 167.82 20.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.2 t -48.8 -59.23 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.8 mt -81.91 -36.36 28.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -82.22 59.82 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -163.15 130.61 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 43' ' ' PHE . 7.6 mp -118.43 103.15 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.7 p -69.59 102.82 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.76 115.38 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 51.38 31.12 6.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.36 -29.92 8.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.7 130.52 34.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.37 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -92.06 150.81 20.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 1.0 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 70.3 m-85 -146.3 152.2 38.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 15.2 m170 -67.46 166.75 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -79.02 -18.14 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -97.98 -46.16 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD13 ' A' ' 20' ' ' LEU . 94.5 m -62.68 -32.04 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CD2' HD22 ' A' ' 31' ' ' LEU . 38.1 t80 -74.32 96.71 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -151.4 174.97 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.54 162.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 26.2 t60 -102.16 -1.46 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 16.0 m -119.13 -37.24 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.1 p -113.79 -8.74 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 6.6 mm-40 56.27 46.11 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.77 127.82 51.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.3 m -39.35 113.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 57' ' ' TYR . 87.7 mt -80.81 95.88 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -67.61 155.95 90.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.2 Cg_endo -69.69 12.55 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -147.08 35.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.24 47.52 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.468 ' HB2' HD22 ' A' ' 52' ' ' LEU . 3.4 p90 -158.27 160.68 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -150.42 151.39 32.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.568 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.2 tt0 -107.78 104.96 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 27.8 t-80 -56.7 120.37 36.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -27.44 26.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.74 -72.36 0.44 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -83.56 -51.01 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.62 46.68 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 48.6 m-70 -128.4 -176.74 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 86.5 m-85 -118.4 123.49 45.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 46' ' ' HIS . 57.3 m-85 -134.01 161.85 33.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 27.4 p -73.78 171.51 13.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA2' ' A' ' 56' ' ' GLY . 34.0 mt -79.7 15.54 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.8 -12.18 5.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.9 m170 -123.26 -18.4 6.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -48.23 118.41 6.58 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.571 0.701 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.76 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.28 129.82 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -91.23 172.41 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -107.07 42.1 1.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.7 p -120.08 -28.74 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.92 -86.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -17.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.7 p 43.18 41.97 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -61.12 -57.96 10.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -107.04 126.57 52.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -93.13 -56.73 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.07 -161.56 12.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -164.77 172.14 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -124.99 165.95 17.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.87 126.54 6.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -141.75 110.17 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -116.72 112.09 20.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.82 161.61 29.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -140.86 162.17 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 163.48 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.51 -104.72 2.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.41 157.81 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.36 46.6 0.97 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.437 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 m-20 -118.0 76.87 1.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 16' ' ' ASP . 9.5 mt -134.55 131.44 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 39' ' ' HIS . 31.1 t -34.42 143.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -97.47 9.62 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' A' ' 42' ' ' CYS . 3.8 mt -106.57 -51.32 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -104.54 -37.97 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 42.58 3.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -119.08 174.73 6.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -58.23 148.74 26.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 39' ' ' HIS . 10.7 mt -116.14 138.86 50.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.72 153.35 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 27' ' ' VAL . 4.2 p -59.18 -15.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.42 1.42 11.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -122.74 35.56 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -129.79 126.69 38.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 HD11 ' HG2' ' A' ' 40' ' ' ARG . 9.8 mp -108.58 104.28 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.4 p -68.75 93.64 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 60.2 t -117.83 112.16 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 55.61 28.19 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.52 -32.23 6.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -84.59 140.24 31.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -96.43 147.49 23.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 67.1 m-85 -142.53 146.7 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 26.6 m170 -64.44 150.43 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HG2' HD11 ' A' ' 31' ' ' LEU . 19.5 mtp180 -67.73 -8.36 34.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -109.26 -47.7 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.767 ' HB3' HD13 ' A' ' 20' ' ' LEU . 83.2 m -57.07 -42.15 80.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.95 104.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 93.8 mtt180 -145.24 170.83 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 t -54.56 164.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 31.9 t60 -103.17 0.68 32.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.621 HG22 ' CE1' ' A' ' 71' ' ' HIS . 7.0 m -122.08 -35.3 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.64 -5.18 9.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 29.2 mt-10 51.13 49.59 20.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.07 136.49 39.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.6 m -46.4 97.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 97.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.3 m95 -69.92 155.89 92.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.51 0.671 . . . . 0.0 110.972 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.393 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -146.49 29.77 1.59 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.521 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -172.17 50.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.23 153.19 25.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' HD13 ' A' ' 72' ' ' LEU . 10.1 mm-40 -153.31 154.61 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -103.88 135.87 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 32.5 t-80 -84.88 122.81 74.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.08 9.55 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.95 -70.72 1.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.52 -44.89 11.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.71 32.08 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 39.2 m-70 -116.14 172.28 7.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.589 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 67.3 m-85 -108.66 122.83 47.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 28.4 m-85 -128.57 163.94 23.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.4 p -74.33 169.85 16.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 HD11 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -78.19 12.86 1.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -123.14 -12.35 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.621 ' CE1' HG22 ' A' ' 47' ' ' THR . 31.8 m170 -122.23 -20.49 6.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 58' ' ' GLU . 4.7 tp -52.24 116.23 8.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.74 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.78 173.51 10.89 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -144.29 127.74 16.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 p -54.36 177.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -102.29 -55.48 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -127.92 43.63 3.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.39 135.93 12.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.73 2.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.389 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.1 m -74.63 156.74 36.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -132.94 163.2 29.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.497 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -170.03 154.07 4.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -164.06 142.03 7.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.5 110.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -145.42 106.45 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.5 p -162.86 121.57 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 118.76 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -172.97 155.53 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -160.88 134.94 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -167.81 136.07 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.56 108.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.34 78.11 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.7 151.0 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.5 44.11 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -132.3 37.27 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' CYS . 21.9 mt -127.26 134.73 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LEU . 35.4 t -29.99 119.98 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.796 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.53 12.86 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 4.5 mt -112.69 -48.06 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -105.38 -47.24 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.35 41.73 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.385 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.8 143.03 57.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 39' ' ' HIS . 64.4 mt -105.86 164.83 11.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -120.7 -176.52 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.17 -46.66 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.69 21.73 10.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -129.43 -34.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.49 134.77 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' CD2' ' A' ' 43' ' ' PHE . 4.5 mp -105.95 101.55 11.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.4 m -66.68 98.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.612 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 64.2 t -124.18 100.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 49.46 48.78 20.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.37 -33.05 3.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -80.6 132.27 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -109.29 143.49 38.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.796 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.7 m-85 -140.32 170.11 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.555 ' CD2' HD23 ' A' ' 25' ' ' LEU . 10.7 m170 -82.44 154.08 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.826 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' CD ' HD11 ' A' ' 31' ' ' LEU . 15.5 mmt85 -69.63 -16.99 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 84.5 p -97.95 -48.31 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.5 m -64.42 -37.87 89.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.673 ' CD2' HD22 ' A' ' 31' ' ' LEU . 37.9 t80 -61.98 95.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 41' ' ' SER . 63.8 mtt180 -144.95 172.43 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 23.0 t -56.25 165.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 38.6 t60 -101.45 -3.2 29.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.8 m -119.46 -38.35 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.5 p -114.47 -4.92 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 42.6 mt-10 49.37 46.12 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.12 141.77 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.8 m -54.97 96.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 69.4 mt -66.16 93.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.42 154.04 94.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 76.97 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.59 26.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.8 40.11 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -153.47 171.07 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -160.46 157.03 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 12.7 tt0 -108.75 112.68 25.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 27.7 t-80 -63.44 128.85 93.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -27.05 26.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.636 2.224 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.36 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.97 -51.97 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.79 43.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 88.7 m-70 -127.12 -174.42 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.357 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.612 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 35.4 m-85 -119.87 124.72 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 12.4 m-85 -131.59 164.68 25.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 30.9 p -73.41 168.05 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.22 15.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -123.85 -18.66 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 47' ' ' THR . 41.8 m170 -117.68 -18.64 9.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.7 tp -49.47 116.06 5.52 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.615 0.722 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.3 Cg_endo -69.75 -172.91 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.29 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -155.43 125.87 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' THR . 7.8 t -71.23 106.03 3.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 -54.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.8 m -56.57 168.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.96 125.83 5.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 148.79 66.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.0 m -43.39 166.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 t -40.77 -43.6 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.517 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t 63.85 43.43 5.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.354 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -60.3 145.22 48.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.29 152.62 17.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -132.79 176.74 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -84.92 143.27 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.56 -149.22 17.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 37.75 41.5 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' H ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -95.4 110.63 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 64.01 43.72 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.46 -45.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.76 116.34 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.19 -91.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 128.84 39.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.99 -108.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 60.97 38.14 17.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -126.06 136.62 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 9.6 t -40.47 162.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.78 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -99.84 -39.83 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' A' ' 42' ' ' CYS . 1.5 mp -53.92 -65.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.4 p -93.39 -51.79 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 108.63 42.59 1.33 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.434 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.8 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.54 150.05 23.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 37' ' ' PHE . 35.6 mt -121.31 162.84 19.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -113.71 159.66 19.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 28' ' ' LEU . 29.8 m -61.82 -14.91 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 27' ' ' VAL . 12.0 mt -118.64 -53.9 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -51.73 -36.48 47.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -61.19 139.57 58.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -112.68 102.98 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.63 109.71 3.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.62 102.05 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 61.59 31.86 18.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.41 -37.33 3.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -75.81 169.68 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.523 ' HB3' HD13 ' A' ' 25' ' ' LEU . 89.8 m-85 -130.65 147.36 52.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.78 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 16.8 m-85 -146.82 155.17 42.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 39.5 m80 -72.44 154.63 40.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -59.8 -30.97 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 m -85.18 -52.05 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.606 ' HB3' HD13 ' A' ' 20' ' ' LEU . 4.6 m -52.37 -44.04 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -73.46 105.55 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -162.37 169.07 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 17.0 t -49.08 164.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.6 t60 -104.55 -4.11 23.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 ' CE1' ' A' ' 71' ' ' HIS . 12.7 m -116.08 -32.25 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 14.5 p -119.26 -9.06 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 90.6 mt-10 57.33 37.69 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.27 126.45 39.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.3 m -39.98 113.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.95 97.36 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.5 m95 -64.44 154.24 84.44 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.541 0.686 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 16.81 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -152.25 39.96 0.75 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -179.41 49.46 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -158.59 157.49 32.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.941 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -147.0 160.45 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 17.9 tt0 -108.86 110.13 21.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 31.8 t-80 -59.38 134.1 88.4 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.567 0.699 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.549 ' HD2' ' CD2' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.74 -35.96 11.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.78 -95.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.69 -51.37 38.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.74 40.06 2.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 50.7 m-70 -123.93 -175.03 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 34.9 m-85 -108.58 119.85 40.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.4 m-85 -129.92 160.42 33.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -72.0 168.89 17.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' HA2' ' A' ' 56' ' ' GLY . 31.3 mt -79.95 17.41 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -124.23 -21.78 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.615 ' CE1' HG22 ' A' ' 47' ' ' THR . 35.3 m170 -113.29 -20.48 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -47.53 113.37 2.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.738 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 54.3 Cg_endo -69.68 177.11 5.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -155.09 106.56 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 76' ' ' ASP . 8.9 t -49.8 -41.83 45.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' THR . 5.5 m-20 -35.82 111.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.9 m -113.33 156.73 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.84 -65.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 140.29 42.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 m -107.22 95.06 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 t -64.32 123.59 19.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.48 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -172.97 164.76 5.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -119.99 -52.47 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.12 43.36 1.01 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -107.52 101.88 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -157.93 147.76 20.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.4 120.7 2.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -144.37 129.75 18.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -154.08 165.7 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -106.74 132.97 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -46.57 -56.32 6.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.79 79.62 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.44 42.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.29 -61.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.72 -33.39 4.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' HD12 ' A' ' 25' ' ' LEU . 7.3 m-20 -78.7 47.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' CYS . 15.2 mt -130.72 133.6 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' LEU . 34.9 t -31.98 130.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -88.0 3.03 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD13 ' HB3' ' A' ' 42' ' ' CYS . 6.9 mt -101.87 -49.37 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.3 p -105.26 -40.89 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.43 36.95 4.18 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.08 178.89 4.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -62.19 153.6 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' ' 30' ' ' ARG . 16.9 mt -122.9 172.59 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -128.02 153.23 46.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG13 ' HG ' ' A' ' 28' ' ' LEU . 9.8 p -56.94 -16.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HG ' HG13 ' A' ' 27' ' ' VAL . 48.2 mt -109.5 -59.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ARG . 29.3 mt-10 -47.72 -56.06 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.592 ' HD3' ' CD2' ' A' ' 37' ' ' PHE . 3.9 ptp180 -34.19 136.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 40' ' ' ARG . 1.2 mt -107.22 96.27 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 37' ' ' PHE . 9.8 m -66.75 89.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 31' ' ' LEU . 2.4 t -132.76 112.88 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 61.13 30.8 19.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.93 -30.24 4.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 38' ' ' PHE . 99.0 m-70 -82.77 138.43 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' CD2' ' HD3' ' A' ' 30' ' ' ARG . 11.9 m-30 -106.45 134.19 49.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.676 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -134.63 161.04 36.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 25' ' ' LEU . 16.9 m170 -75.67 142.31 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HA ' HD11 ' A' ' 31' ' ' LEU . 55.0 mtm180 -58.65 -23.02 58.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.2 t -86.88 -46.08 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.691 ' HB3' HD13 ' A' ' 20' ' ' LEU . 98.7 m -63.82 -46.59 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' HD13 ' A' ' 31' ' ' LEU . 1.9 t80 -67.39 92.14 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' NE ' ' O ' ' A' ' 41' ' ' SER . 83.9 mtt180 -127.97 178.03 6.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.2 t -59.84 164.37 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 35.4 t60 -102.49 -0.09 32.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.629 HG22 ' CE1' ' A' ' 71' ' ' HIS . 6.8 m -120.82 -37.98 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.1 p -117.73 -5.56 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 65.4 mt-10 51.72 47.49 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.74 146.58 24.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.7 m -55.0 100.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 43' ' ' PHE . 83.2 mt -73.45 99.5 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.455 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.2 m95 -71.46 156.26 91.71 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.543 0.687 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 16.2 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -148.82 34.2 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.751 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -175.47 49.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.503 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -158.1 159.81 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -150.83 154.5 37.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.588 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 19.8 tt0 -109.86 110.3 21.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 16.8 t-80 -68.46 123.1 86.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.613 0.721 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.13 8.24 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -39.92 -51.9 3.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.526 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -99.07 -52.52 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.7 35.62 1.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 58.4 m-70 -125.33 179.76 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 70.4 m-85 -112.65 123.44 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 29.4 m-85 -129.34 162.83 27.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.92 172.1 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.751 HD11 ' HA2' ' A' ' 56' ' ' GLY . 28.0 mt -80.52 15.22 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -125.89 -11.24 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' A' ' 47' ' ' THR . 29.9 m170 -123.97 -19.53 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.4 tp -50.25 115.66 5.7 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.611 0.72 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.76 -174.55 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.228 . . . . 0.0 112.366 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -155.33 119.35 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.6 t -66.86 147.5 53.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.67 143.25 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.815 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 m -66.53 -58.79 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.17 174.17 17.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 156.25 63.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.0 p -72.57 123.71 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -129.52 87.57 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.477 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -155.37 122.71 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -133.05 155.25 49.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.15 134.68 3.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -119.46 123.58 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 p -89.26 139.57 30.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.57 89.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -105.77 142.09 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.929 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -79.46 177.36 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -131.36 165.01 24.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -94.28 167.38 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.18 154.21 31.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.41 144.63 9.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.48 163.74 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.341 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.68 45.83 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -118.99 44.78 2.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' CYS . 19.8 mt -129.92 132.47 46.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -36.79 153.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.648 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -80.2 -45.42 18.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD22 ' HB3' ' A' ' 42' ' ' CYS . 3.0 mp -53.86 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 p -102.12 -48.65 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 81.52 53.99 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -92.04 -62.57 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -171.58 126.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 39' ' ' HIS . 51.3 mt -102.68 146.11 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' LEU . 22.6 t80 -114.94 152.82 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -41.45 -25.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 29' ' ' GLU . 24.2 mt -108.55 -72.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 28' ' ' LEU . 17.9 mt-10 -33.37 -37.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.6 ptp180 -61.03 132.66 54.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -117.39 99.61 7.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.19 113.77 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 66' ' ' PHE . 40.3 t -133.12 106.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 54.7 40.92 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.59 -35.48 3.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -87.17 132.89 33.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -96.01 157.33 15.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 93.2 m-85 -146.12 154.03 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' CD2' HD23 ' A' ' 25' ' ' LEU . 11.6 m170 -70.36 139.24 51.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.92 -15.55 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 6.8 t -99.76 -48.64 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.904 ' HB3' HD22 ' A' ' 20' ' ' LEU . 65.2 m -56.73 -51.66 67.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 41' ' ' SER . 95.7 mtt180 -139.51 169.01 18.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 31.1 t -55.04 162.83 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.588 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 30.7 t60 -100.15 0.17 40.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.661 HG22 ' CE1' ' A' ' 71' ' ' HIS . 13.8 m -122.74 -40.84 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.23 -5.78 14.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 17.9 mt-10 50.85 50.07 19.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.36 139.87 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.7 m -49.41 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.43 96.88 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' A' ' 55' ' ' GLY . 2.7 m95 -66.36 156.16 86.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.7 Cg_endo -69.77 15.64 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -151.14 27.0 1.0 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.45 49.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -158.16 163.5 37.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -152.92 154.05 34.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HB2' ' CD1' ' A' ' 66' ' ' PHE . 16.3 tt0 -108.04 111.6 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.524 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 22.3 t-80 -66.03 129.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -35.39 12.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -42.63 -82.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.65 -59.08 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.61 37.68 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.6 m-70 -123.71 -175.3 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CD1' ' HB2' ' A' ' 59' ' ' GLN . 94.8 m-85 -114.33 123.91 50.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 37.0 m-85 -128.24 163.32 24.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 26.8 p -75.45 171.69 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.29 14.8 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -126.22 -8.38 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.661 ' CE1' HG22 ' A' ' 47' ' ' THR . 25.8 m170 -126.76 -20.15 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.7 tp -49.73 114.82 4.48 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.4 Cg_endo -69.71 -177.16 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.379 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -159.09 120.52 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.5 p -38.92 157.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -141.17 144.2 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t 51.27 40.67 26.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.28 -135.68 1.19 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -19.02 36.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 m -126.65 170.08 12.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.9 m -97.37 136.04 38.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.477 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -141.51 128.0 20.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 4' ' ' GLY . 36.5 m -97.84 -44.78 6.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.62 70.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -107.45 103.96 13.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -64.33 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.73 117.84 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -82.58 82.31 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -157.05 127.16 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -50.89 171.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -78.37 -55.73 5.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.74 165.92 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.32 -174.14 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.89 153.04 24.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.11 78.43 0.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.08 59.46 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 24' ' ' HIS . 2.8 mt -140.74 137.99 33.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.663 ' CB ' ' CE1' ' A' ' 39' ' ' HIS . 6.0 t -40.53 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -96.94 -41.14 8.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.64 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 104.05 41.07 2.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -107.86 174.45 5.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.4 t60 -58.45 145.17 39.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD23 ' CD2' ' A' ' 39' ' ' HIS . 45.8 mt -111.65 148.41 33.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -106.33 169.62 8.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.1 m -75.03 -20.06 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -117.82 15.16 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -126.65 -27.13 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -70.38 138.98 51.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.28 107.44 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.7 p -69.61 102.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 87.4 t -126.18 96.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.32 27.49 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.37 -35.47 4.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -79.49 151.51 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' CB ' HD13 ' A' ' 25' ' ' LEU . 69.5 m-85 -111.22 139.65 46.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 79.7 m-85 -134.59 151.06 50.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.663 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 35.1 m80 -74.04 134.26 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -43.1 -33.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.472 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 89.9 p -81.02 -58.07 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 7.5 m -47.03 -54.67 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -48.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' NE ' ' O ' ' A' ' 41' ' ' SER . 69.2 mtt-85 -142.62 170.77 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.86 164.45 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 34.6 t60 -103.43 2.79 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.631 HG22 ' CE1' ' A' ' 71' ' ' HIS . 10.7 m -123.37 -35.11 3.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.34 -5.41 9.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 16.4 mt-10 52.88 47.51 24.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.59 131.42 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.4 m -40.94 104.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -73.95 95.29 2.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.428 ' C ' ' H ' ' A' ' 55' ' ' GLY . 7.2 m95 -63.67 155.84 74.57 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.565 0.698 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 54.0 Cg_endo -69.78 13.18 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.47 27.34 1.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' HA2' HD11 ' A' ' 69' ' ' LEU . . . -162.15 47.97 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -158.35 167.66 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -160.98 154.33 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 64.2 tt0 -106.35 105.78 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 20.7 t-80 -60.04 122.76 68.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 62' ' ' GLY . 54.0 Cg_endo -69.77 -43.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.49 -55.77 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.5 -65.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.23 35.05 0.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.553 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 6.7 m-70 -121.54 173.56 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 96.4 m-85 -107.95 125.92 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 33.7 m-85 -134.98 163.94 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.3 p -75.09 169.26 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD11 ' HA2' ' A' ' 56' ' ' GLY . 36.4 mt -78.01 14.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -122.85 -19.72 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 47' ' ' THR . 30.8 m170 -114.76 -20.06 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 7.4 tp -46.85 116.57 4.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 53.7 Cg_endo -69.76 -179.02 2.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -151.14 117.56 5.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.3 t -91.2 146.17 24.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -87.2 89.42 7.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.0 m -96.96 88.25 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.787 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.09 -161.7 11.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 111.71 2.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.284 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.5 m -85.34 -54.4 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.7 t 60.84 44.73 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -157.98 113.47 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -143.52 153.95 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.8 176.69 16.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -167.93 172.89 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.356 . . . . 0.0 110.887 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -89.65 172.97 8.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.42 129.0 2.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.45 141.86 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 10' ' ' GLN . 4.0 p-80 -115.78 -43.24 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' HIS . 14.5 mm100 -34.42 115.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -68.34 134.46 50.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.71 140.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -90.15 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.06 -44.57 4.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.16 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.05 33.62 1.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -115.58 47.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -129.71 138.64 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' N ' HD11 ' A' ' 25' ' ' LEU . 43.3 t -40.64 161.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -100.28 -36.98 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' HH21 ' A' ' 44' ' ' ARG . 0.9 OUTLIER -65.42 -63.36 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.0 p -86.44 -49.3 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 97.92 32.08 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -101.62 -177.67 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -66.44 144.05 56.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 mt -113.0 145.97 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -104.35 145.21 30.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG13 ' HG ' ' A' ' 28' ' ' LEU . 13.3 p -41.51 -27.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HG ' HG13 ' A' ' 27' ' ' VAL . 96.2 mt -101.88 -50.18 3.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -75.14 55.9 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -150.7 129.9 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.17 105.78 14.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.54 106.32 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.449 HG12 ' OD1' ' A' ' 34' ' ' ASN . 16.9 t -133.48 129.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' OD1' HG12 ' A' ' 33' ' ' VAL . 13.5 m120 47.4 25.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.09 -33.59 5.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -84.13 147.65 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 96.7 m-85 -102.39 150.69 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 7.2 m-85 -147.0 146.85 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' CD2' HD23 ' A' ' 25' ' ' LEU . 17.8 m170 -64.59 166.73 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -74.37 -18.96 60.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.3 t -99.35 -47.69 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.3 m -55.84 -37.54 68.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 16.5 t80 -73.47 101.24 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HB2' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -159.54 167.87 27.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 48' ' ' CYS . 14.1 t -47.37 163.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 24.3 t60 -104.41 -4.63 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.487 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.6 m -117.09 -30.66 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 45' ' ' CYS . 18.9 p -120.53 -7.32 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 44' ' ' ARG . 28.3 mt-10 55.81 29.71 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 125.09 32.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -39.76 114.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 43' ' ' PHE . 92.4 mt -80.94 102.29 10.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' GLY . 6.8 m95 -71.03 154.83 93.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.606 0.717 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.8 Cg_endo -69.78 11.48 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -144.69 37.93 1.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.99 52.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.522 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -158.53 169.25 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -158.66 150.36 21.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 29.1 tt0 -102.46 116.67 33.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 30.3 t-80 -76.81 122.54 86.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.8 Cg_endo -69.71 -40.45 5.38 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -33.98 -51.61 0.66 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.9 -50.95 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.94 41.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 26.8 m-70 -127.81 -174.64 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 59' ' ' GLN . 95.4 m-85 -118.75 123.15 44.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 9.7 m-85 -129.25 164.72 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 31.1 p -74.34 169.3 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.9 mt -79.09 15.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -125.1 -16.39 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' THR . 42.2 m170 -118.51 -19.92 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.9 tp -46.99 113.93 2.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 60' ' ' HIS . 54.1 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 74' ' ' GLN . 6.4 mm-40 -159.54 122.51 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 76' ' ' ASP . 2.1 t -93.92 115.44 27.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 34.08 45.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.3 t -112.33 44.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.74 -103.81 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 86.52 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.1 p -43.61 117.25 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.9 t -93.07 134.22 35.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.483 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -127.72 116.54 20.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -165.73 162.54 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.0 79.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -97.77 91.96 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -132.34 156.51 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 173.96 15.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CD ' ' OE1' ' A' ' 10' ' ' GLN . 39.1 tt0 -102.64 -40.65 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 70.05 45.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' OE1' ' CD ' ' A' ' 8' ' ' GLN . 10.1 pt20 -108.75 128.85 55.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -135.71 153.6 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.07 118.0 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.36 110.66 3.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.69 -42.42 61.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.9 39.82 0.8 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.08 36.06 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -127.69 137.33 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 19' ' ' ALA . 6.8 t -40.41 162.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -95.29 -42.0 8.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.078 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 42' ' ' CYS . 2.0 mp -54.84 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.4 p -101.65 -49.19 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 18' ' ' CYS . . . 87.06 51.15 3.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.32 -71.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -173.14 127.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 37' ' ' PHE . 17.3 mt -101.34 146.16 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' VAL . 40.5 t80 -119.66 173.28 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 45.8 t -57.34 -44.08 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 mt -105.74 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -134.98 7.42 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -110.75 129.49 55.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 ' HG2' ' A' ' 40' ' ' ARG . 10.3 mp -108.0 99.73 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.91 111.04 4.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' ' CZ ' ' A' ' 66' ' ' PHE . 58.0 t -130.13 106.56 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 54.37 36.31 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.74 -38.82 2.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -75.26 176.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.74 ' HB3' HD13 ' A' ' 25' ' ' LEU . 91.4 m-85 -136.5 152.83 50.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 36.3 m-85 -147.07 159.09 44.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' CB ' ' A' ' 18' ' ' CYS . 23.5 m80 -78.71 140.83 38.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HG2' HD11 ' A' ' 31' ' ' LEU . 60.0 mtt180 -50.65 -27.67 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -86.52 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.656 ' HB3' HD22 ' A' ' 20' ' ' LEU . 32.1 m -47.27 -52.85 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 52' ' ' LEU . 5.0 t80 -49.23 96.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HB3' ' C ' ' A' ' 49' ' ' GLU . 65.1 mtt180 -135.53 166.59 22.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.61 162.65 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.593 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.6 t60 -99.06 1.65 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.592 HG22 ' CE1' ' A' ' 71' ' ' HIS . 14.5 m -123.19 -43.29 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.89 -5.87 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 63.0 mt-10 50.79 51.55 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.5 133.24 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.3 m -43.55 102.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.119 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 43' ' ' PHE . 75.0 mt -70.81 94.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.446 ' C ' ' H ' ' A' ' 55' ' ' GLY . 29.9 m95 -60.96 154.85 57.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 0.0 110.968 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.6 Cg_endo -69.74 17.12 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -153.75 30.68 0.75 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.57 49.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.31 162.43 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -158.64 160.68 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.52 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -109.28 137.43 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 24.4 t-80 -91.59 126.58 53.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -30.93 21.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.23 13.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.33 -56.87 3.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.58 25.52 3.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 96.1 m-70 -118.9 176.83 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.663 ' CZ ' ' CG1' ' A' ' 33' ' ' VAL . 71.3 m-85 -109.0 125.14 51.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.589 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 31.3 m-85 -129.45 163.86 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -73.94 170.92 14.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -79.23 15.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -126.96 -11.89 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 47' ' ' THR . 28.4 m170 -123.72 -19.53 5.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 5.1 tp -52.01 116.6 8.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.636 0.731 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.8 Cg_endo -69.79 -170.59 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.631 2.221 . . . . 0.0 112.38 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -148.71 112.66 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p 38.85 45.55 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.59 90.03 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.2 m -45.85 136.21 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.42 140.88 12.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 105.89 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.3 t -111.53 116.56 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -124.76 107.9 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.51 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -84.68 -51.77 6.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -59.56 106.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.69 -159.16 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -164.04 124.61 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -107.3 104.9 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.54 92.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -118.78 88.2 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -77.28 100.25 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.8 mm-40 -108.71 159.51 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 31.9 tt0 -35.35 141.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.25 -52.36 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.3 -74.02 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.89 81.26 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.04 97.28 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -126.21 47.82 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' CYS . 14.9 mt -125.88 137.08 53.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' LEU . 47.8 t -32.06 126.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.095 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . . . -84.98 18.08 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 42' ' ' CYS . 7.7 mt -119.74 -48.46 2.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.22 -48.46 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.96 42.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -121.21 173.49 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -61.76 147.73 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD13 ' CB ' ' A' ' 37' ' ' PHE . 39.5 mt -112.95 149.0 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -103.65 -178.14 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -80.08 -53.15 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -91.85 27.67 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' HD12 ' A' ' 31' ' ' LEU . 30.7 mt-10 -134.69 -37.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -61.52 131.73 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 40' ' ' ARG . 7.1 mp -106.52 100.48 10.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.16 101.99 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.761 HG21 ' HE2' ' A' ' 43' ' ' PHE . 61.9 t -127.58 103.68 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 59.91 34.63 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.05 -33.6 4.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -84.39 136.0 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CB ' HD13 ' A' ' 25' ' ' LEU . 74.6 m-85 -99.86 150.81 21.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 1.095 ' CE2' ' HB3' ' A' ' 19' ' ' ALA . 13.9 m-85 -146.97 163.98 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 25' ' ' LEU . 22.1 m170 -77.81 159.75 28.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.679 ' CG ' HD11 ' A' ' 31' ' ' LEU . 21.7 mtp180 -78.28 -7.51 57.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 13.6 t -107.27 -45.77 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD13 ' A' ' 20' ' ' LEU . 68.9 m -61.2 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.761 ' HE2' HG21 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -54.45 84.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' CYS . 84.0 mtt180 -130.69 173.96 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.1 t -57.58 164.67 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 53.5 t60 -100.65 -4.2 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.645 HG22 ' CE1' ' A' ' 71' ' ' HIS . 8.8 m -119.84 -39.55 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 p -113.62 -4.95 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' C ' ' HB3' ' A' ' 44' ' ' ARG . 88.6 mt-10 48.1 46.74 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.53 133.47 40.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 m -42.62 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.71 93.85 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.441 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -66.04 157.12 82.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 53' ' ' TRP . 53.9 Cg_endo -69.73 15.55 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.735 2.29 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 53' ' ' TRP . . . -149.29 35.03 1.07 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.55 49.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -158.5 168.33 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -152.44 153.89 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 32.2 tt0 -111.96 103.79 12.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.537 ' CD2' ' HG2' ' A' ' 73' ' ' PRO . 22.8 t-80 -60.83 126.5 85.62 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.56 0.695 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' GLY . 53.6 Cg_endo -69.75 -43.3 2.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -34.03 -68.26 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.01 -56.2 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.52 36.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 95.4 m-70 -121.3 -175.84 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 59' ' ' GLN . 87.7 m-85 -116.46 124.62 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 46' ' ' HIS . 23.8 m-85 -131.28 162.26 30.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 29.9 p -74.53 170.94 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.9 mt -79.76 16.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -126.78 -13.86 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.645 ' CE1' HG22 ' A' ' 47' ' ' THR . 32.5 m170 -121.87 -18.41 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 6.2 tp -51.38 117.99 10.16 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 60' ' ' HIS . 53.4 Cg_endo -69.81 179.75 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -155.81 131.01 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 t -105.03 38.54 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -133.88 -38.82 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.6 t -125.25 126.79 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.19 119.01 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 N--CA 1.466 -0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.373 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.6 p -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p -47.94 -49.03 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.467 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_